diphenhydramine

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Names

[ CAS No. ]:
58-73-1

[ Name ]:
diphenhydramine

[Synonym ]:
2-benzhydryloxy-N,N-dimethylethanamine
Antamin
b-Dimethylaminoethyl Benzhydryl Ether
EINECS 200-396-7
Cetamin
DPH (VAN)
Diphenhydramine Base
MFCD00274173
2-Diphenylmethoxy-N,N-dimethylethanamine
2-(Diphenylmethoxy)-N,N-dimethylethanamine
N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE
a-(2-Dimethylaminoethoxy)diphenylmethane
Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-
Benzhydramine
2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine
Dibendrin
DPH
diphenhydramine

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
343.7±27.0 °C at 760 mmHg

[ Melting Point ]:
167-172°C

[ Molecular Formula ]:
C₁₇H₂₁NO

[ Molecular Weight ]:
255.355

[ Flash Point ]:
101.5±26.0 °C

[ Exact Mass ]:
255.162308

[ PSA ]:
12.47000

[ LogP ]:
3.66

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.551

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KR6825000

CHEMICAL NAME :: Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-

CAS REGISTRY NUMBER :: 58-73-1

BEILSTEIN REFERENCE NO. :: 1914136

LAST UPDATED :: 199806

DATA ITEMS CITED :: 25

MOLECULAR FORMULA :: C17-H21-N-O

MOLECULAR WEIGHT :: 255.39

WISWESSER LINE NOTATION :: 1N1&2OYR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 714 ug/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - alteration of operant conditioning Behavioral - changes in psychophysiological tests

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 7353 ug/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 :: Multiple routes

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 793 ug/kg/1H-I

TOXIC EFFECTS :: Behavioral - hallucinations, distorted perceptions Behavioral - ataxia Behavioral - muscle contraction or spasticity

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 390 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay)

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 280 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 474 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 - rat

DOSE/DURATION :: 42 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 :: 160 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 :: 56 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 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 - mouse

DOSE/DURATION :: 29 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay)

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 75 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 56 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 :: Subcutaneous

DOSE :: 440 mg/kg

SEX/DURATION :: female 1-22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 440 mg/kg

SEX/DURATION :: female 1-22 day(s) after conception

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 240 mg/kg

SEX/DURATION :: female 6 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 20 mg/kg

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

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

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Human Fibroblast

DOSE/DURATION :: 100 mg/L

REFERENCE :: ACYTAN Acta Cytologica. (Science Printers and Pub., Inc., 2 Jacklynn Ct., St. Louis, MO 63132) V.1- 1957- Volume(issue)/page/year: 16,41,1972 *** REVIEWS *** TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5089 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 679 (estimated) No. of Female Employees: 370 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2922199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-(Dimethylamino)ethanol
benzhydryl chloride
2-benzhydryloxyethanol
Dimethylamine
Diphenhydramine Hydrochloride
Benzhydrol
2-Chloroethyldimethylamine
Bromodiphenylmethane
2-(Diphenylmethoxy)-N,N-dimethylacetamid

DownStream

Diphenhydramine N-Oxide
Diphenylmethylvinylether
[2-(diphenylmethoxy)ethyl]trimethylammonium bromide
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE
Benzhydrol
3-(dimethylamino)-1,1-diphenylpropan-1-ol
2-benzhydryloxyethyl-(2-ethylhexoxycarbonylmethyl)-dimethyl-azanium
2-benzhydryloxyethyl-dimethyl-(phenylmethoxycarbonylmethyl)azanium

Customs

[ HS Code ]: 2922199090

[ Summary ]:
2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

diphenhydramine
diphenhydramine
DIPHENHYDRAMINE-D3
Diphenhydramine maleate
Diphenhydramine citrate
Diphenhydramine N-Oxide
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
Methyl 6-bromo-4-chloro-1-methyl-1H-indole-2-carboxylate
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
tert-Butyl-DL-alanine
3-(1-Methylbenzimidazol-2-yl)azetidine-1-sulfonyl fluoride