Methyldopa

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Names

[ CAS No. ]:
555-30-6

[ Name ]:
Methyldopa

[Synonym ]:
a-Methyl-L-dopa
α-Methyl-L-dopa
Methyldopa Sesquihydrate
Dopegyt
L-(-)-b-(3,4-Dihydroxyphenyl)-a-methylalanine
L-(-)-α-Methyl-β-(3,4-dihydroxyphenyl)alanine
L-(-)-a-Methyl-b-(3,4-dihydroxyphenyl)alanine
a-Methyl Dopa
L-α-Methyl-DOPA
alpha-methyl-L-dopa
MFCD00004186
α-Methyl dopa
EINECS 209-089-2
L-Tyrosine, 3-hydroxy-α-methyl-, hydrate (2:3)
Tyrosine, 3-hydroxy-α-methyl-, hydrate (1:1)
L-(a-Md)
L-α-Methyldopa
α-Methyldopa sesquihydrate
(-)-α-Methyldopa
3-Hydroxy-α-methyl-L-tyrosine
L-Tyrosine, 3-hydroxy-α-methyl-
Dopamet
(−)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine,MK-351,Methyl-L-DOPA
(S)-(-)-a-Methyldopa
a-Methyl-b-(3,4-dihydroxyphenyl)-L-alanine
Bayer 1440L
Methyl dopa
Aldomet
(-)-3-(3,4-Dihydroxyphenyl)-2-Methyl-L-Alanine Sesquihydrate
l-a-Methyldopa
(S)-a-Methyldopa
ALDORIL
Alpha-Methyldopa Sesquihydrate
Alanine, 3- (3,4-dihydroxyphenyl)-2-methyl-, L-
Methyldopa
3-Hydroxy-α-methyltyrosine hydrate (1:1)
L-a-Methyl-3,4-dihydroxyphenylalanine
(-)-Methyldopa
Elanpres

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
441.6±45.0 °C at 760 mmHg

[ Melting Point ]:
≥300 °C

[ Molecular Formula ]:
C₁₀H₁₃NO₄

[ Molecular Weight ]:
211.214

[ Flash Point ]:
220.9±28.7 °C

[ Exact Mass ]:
211.084457

[ PSA ]:
103.78000

[ LogP ]:
0.13

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.635

[ Storage condition ]:
Store at RT

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AY5950000

CHEMICAL NAME :: Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, L-(-)-

CAS REGISTRY NUMBER :: 555-30-6

LAST UPDATED :: 199707

DATA ITEMS CITED :: 32

MOLECULAR FORMULA :: C10-H13-N-O4

MOLECULAR WEIGHT :: 211.24

WISWESSER LINE NOTATION :: QVXZ1&1R CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 900 mg/kg/13W-I

TOXIC EFFECTS :: Behavioral - tremor

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 1830 mg/kg/17W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - fasciculations Behavioral - hallucinations, distorted perceptions Behavioral - tremor

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 1071 mg/kg/22W-I

TOXIC EFFECTS :: Skin and Appendages - dermatitis, allergic (after systemic exposure)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 44 gm/kg/3Y-I

TOXIC EFFECTS :: Gastrointestinal - necrotic changes

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5300 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP Vascular - BP lowering not characterized in autonomic section

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1700 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 713 mg/kg

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

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 713 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 56875 mg/kg/13W-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 136 gm/kg/13W-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12105 mg/kg/50D-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in leukocyte (WBC) count

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 10950 mg/kg

SEX/DURATION :: female 2 year(s) pre-mating female 1-12 week(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Maternal Effects - breasts, lactation (prior to or during pregnancy)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 1680 mg/kg

SEX/DURATION :: female 28-36 week(s) after conception

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 2306 mg/kg

SEX/DURATION :: female 5-14 week(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2100 mg/kg

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

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 7500 mg/kg

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - parturition Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 7500 mg/kg

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 13 gm/kg

SEX/DURATION :: male 65 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 300 mg/kg

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

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 480 mg/kg

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

TOXIC EFFECTS :: Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 960 mg/kg

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

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 80 mg/kg

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

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 150 mg/kg

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

TOXIC EFFECTS :: Reproductive - Paternal Effects - other effects on male

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 37 mg/L

REFERENCE :: GMCRDC Gann Monograph on Cancer Research. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No. 11- 1971- Volume(issue)/page/year: 27,95,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3201 No. of Facilities: 366 (estimated) No. of Industries: 2 No. of Occupations: 13 No. of Employees: 16478 (estimated) No. of Female Employees: 11629 (estimated)

Safety Information

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ RTECS ]:
YP2860000

[ HS Code ]:
2918199090

Precursor & DownStream

Precursor

4-(Bromomethyl)-1,2-dimethoxybenzene
dimethyl 2-(3,4-dimethoxybenzyl)-2-methylmalonate
benzyl-veratryliden-amine
(3S,4R)-1-benzyl-3-[2-oxo-4(S)-phenyloxazolidinyl]-4-(3,4-dimethoxyphenyl)azetidin-2-one
(3S,4R)-1-benzyl-3-methyl-3-[2-oxo-(4S)-phenyloxazolidinyl]-4-(3,4-dimethoxyphenyl)azetidin-2-one
3-methoxy-O,α-dimethyl-L-tyrosine

DownStream

methyl-2 [(tri-O-benzoyl-2',3',5' β-D-ribofuranosyl)-3 hydroxy-4 phenyl]-3 alanine
D-Ribofuranose, 1-acetate 2,3,5-tribenzoate
2-methyl-1H-indole-5,6-diol

Customs

[ HS Code ]: 2918199090

[ Summary ]:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

Methyldopa
Methyldopa
Methyldopa
Methyldopate
N-Methyldopa
D-Methyldopa
8-(4-(3-chlorobenzyl)piperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
3-methyl-7-(3-methylbenzyl)-8-(4-phenethylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
3-methyl-7-(4-methylbenzyl)-8-(4-pentylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
8-(4-isobutylpiperazin-1-yl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
8-(4-benzylpiperazin-1-yl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
3-Methyl-7-[(4-methylphenyl)methyl]-8-{4-[(3-methylphenyl)methyl]piperazinyl}-1,3,7-trihydropurine-2,6-dione
8-(4-(2-fluorobenzyl)piperazin-1-yl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
3-methyl-7-(4-methylbenzyl)-8-(4-phenethylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
methyl 2-(4-(3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
7-(2,5-dimethylbenzyl)-3-methyl-8-(4-pentylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione

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