Nicotine ditartrate

Nicotine ditartrate structure	Common Name	Nicotine ditartrate
CAS Number	65-31-6	Molecular Weight	462.405
Density	N/A	Boiling Point	508ºC(e)
Molecular Formula	C₁₈H₂₆N₂O₁₂	Melting Point	89ºC
MSDS	Chinese USA	Flash Point	101.7ºC
Symbol	GHS06, GHS09	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	(-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point	508ºC(e)
Melting Point	89ºC
Molecular Formula	C₁₈H₂₆N₂O₁₂
Molecular Weight	462.405
Flash Point	101.7ºC
Exact Mass	462.148560
PSA	246.25000
InChIKey	RFEJUZJILGIRHQ-WBPXWQEISA-N
SMILES	CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
Water Solubility	H2O: 50 mg/mL

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Nicotine ditartrate MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT0350000

CAS REGISTRY NUMBER :: 65-31-6

LAST UPDATED :: 199412

DATA ITEMS CITED :: 24

MOLECULAR FORMULA :: C10-H14-N2.2C4-H6-O6

MOLECULAR WEIGHT :: 462.46

WISWESSER LINE NOTATION :: T6NJ C- BT5NTJ A1 &OVYQYQVO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 65 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 5,341,1973

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 83 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 22,324,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 5,341,1973

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 28,681,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 91,359,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 5,341,1973

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 65,366,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 53 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 5,341,1973

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)

REFERENCE :: BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 22,324,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 337 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 28,681,1972 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 9500 ug/kg

SEX/DURATION :: female 3-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: PPTDD5 Peptides. (Pergamon Press Inc., 660 White Plains Rd., Tarrytown, NY 10591-5153) V.1- 1980- Volume(issue)/page/year: 9(Suppl 1),39,1988

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 285 ug/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)

REFERENCE :: PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 10,44,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 75 mg/kg

SEX/DURATION :: female 1-5 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

REFERENCE :: BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 20,294,1979

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 90 mg/kg

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Newborn - sex ratio Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: PBBHAU Pharmacology, Biochemistry and Behavior. (ANKHO International Inc., P.O. Box 426, Fayetteville, NY 13066) V.1- 1973- Volume(issue)/page/year: 33,1,1989

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 102 mg/kg

SEX/DURATION :: female 4-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - biochemical and metabolic

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 251,894,1989

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 712 ug/kg

SEX/DURATION :: female 12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - biochemical and metabolic

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 29(3),28A,1984

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 85503 ug/kg

SEX/DURATION :: female 4-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :: BRBUDU Brain Research Bulletin. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1976- Volume(issue)/page/year: 23,187,1989

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 42 mg/kg

SEX/DURATION :: female 12-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - biochemical and metabolic

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 248,786,1989

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 126 mg/kg

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :: DBRRDB Developmental Brain Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1981- Volume(issue)/page/year: 68,233,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 34 mg/kg

SEX/DURATION :: female 4-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :: NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 14,375,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 15391 ug/kg

SEX/DURATION :: female 1-6 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - eye/ear

REFERENCE :: EPILAK Epilepsia (New York). (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) Ser.1-3: 1909-55; Ser.4: V.1- 1959- Volume(issue)/page/year: 26,661,1985

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 50 ug/kg

SEX/DURATION :: female 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 31,91,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 68 mg/kg

SEX/DURATION :: female 1-68 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: JGPSAY Journal of General Psychology. (Journal Press, c/o Heldref Publications, 4000 Albemarle St., NW, Washington, DC 20016) V.1- 1928- Volume(issue)/page/year: 120,49,1993

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS06, GHS09
Signal Word	Danger
Hazard Statements	H300 + H310 + H330-H411
Precautionary Statements	Missing Phrase - N15.00950417-P260-P262-P280-P302 + P352 + P310-P304 + P340 + P310
Hazard Codes	T+,N
Risk Phrases	26/27/28-51/53
Safety Phrases	S13-S28-S45-S61
RIDADR	UN 1659 6.1/PG 2
WGK Germany	2
RTECS	QT0350000
Packaging Group	II
Hazard Class	6.1(a)

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 3
CAS#:50-00-0 Formaldehyde CAS#:87-69-4 Tartaric acid CAS#:7076-23-5 (R)-3-(pyrrolid...
DownStream 0

This table lists relevant public references with title, journal and publication metadata for this compound.

A concurrent excitation and inhibition of dopaminergic subpopulations in response to nicotine.

Sci. Rep. 5 , 8184, (2015)

Midbrain dopamine (DA) neurons are key players in motivation and reward processing. Increased DA release is thought to be central in the initiation of drug addiction. Whereas dopamine neurons are gene...

Inhibition of monoacylglycerol lipase reduces nicotine withdrawal.

Br. J. Pharmacol. 172(3) , 869-82, (2015)

Abrupt discontinuation of nicotine, the main psychoactive component in tobacco, induces a withdrawal syndrome in nicotine-dependent animals, consisting of somatic and affective signs, avoidance of whi...

Orally administered nicotine induces urothelial hyperplasia in rats and mice.

Toxicology 315 , 49-54, (2014)

Tobacco smoking is a major risk factor for multiple human cancers including urinary bladder carcinoma. Tobacco smoke is a complex mixture containing chemicals that are known carcinogens in humans and/...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Fluorescence polarization based primary biochemical high throughput screening assay o...
Source: 1102
Target: NS3 [Hepatitis C virus]
External Id: 20130523FPNS3DALOPAC

Name: 96-well format Chlamydomonas reinhardtii Algae Gravitaxis Assay to measure the differ...
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: MH081217, Chlamydomonas reinhardtii Gravitaxis Assay to Identify Small Molecule Inhibitors of Cilia.

Name: Fluorescence-based counterscreen assay of HCV NS3 helicase-DNA binding inhibitors in ...
Source: 1102
Target: N/A
External Id: 20130620FPNS3INTERFERELOPAC

Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700

Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN

Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN

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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 200-607-2

MFCD00069368

Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-, compd. with 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine (2:1)

3-(1-Methyl-2-pyrrolidinyl)pyridine 2,3-dihydroxysuccinate (1:2)

nicotineacidtartrate

Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 2,3-dihydroxybutanedioate (1:2) (salt)

NICOTINE TARTRATE

(2R,3R)-2,3-Dihydroxysuccinic acid - 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine (2:1)

NICOTINE BITARTRATE

nikotinbitartrat

Nicotine Difartrate

nicotinehydrogentartrate

tartratedenicotine

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Boiling point of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is 508ºC(e).

Q: How is the water solubility of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Water solubility of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt: H2O: 50 mg/mL.

Q: What is the English name of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: The English name of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt.

Q: What is the melting point of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Melting point of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is 89ºC.

Q: What is the SMILES notation of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: SMILES notation of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.

Q: What are the upstream materials of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Related upstream materials(CAS) of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt: 50-00-0;87-69-4;7076-23-5.

Q: What is the safety information for (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Safety information for (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt: S13-S28-S45-S61.

Q: What is the polar surface area (PSA) of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Polar surface area (PSA) of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is 246.25000.

Q: What is the InChIKey of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: InChIKey of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is RFEJUZJILGIRHQ-WBPXWQEISA-N.

Q: What is the molecular weight of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt?

A: Molecular weight of (-)-Nicotine ditartrate,(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine(+)-ditartratesalt is 462.405.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Nicotine ditartrate

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Precursor & DownStream

Articles11

Nicotine ditartrateBioassay

Synonyms

Nicotine ditartrate | FAQ

Nicotine ditartratefactory

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