CAS Number58-73-1
Synonyms2-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; Benzhydramine; 2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine; Dibendrin; DPH; diphenhydramine
Molecular FormulaC17H21NO
Molecular Weight255.355
Purity98.00%
Density1.0±0.1 g/cm3
Boiling Point343.7±27.0 °C at 760 mmHg
Melting Point167-172°C
AppearanceTransparent light yellow liquid
EINECS200-396-7
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 58-73-1 |
| Catalog No. | 2A-9016790 |
| Chinese Name | 苯海拉明 |
| Synonyms | 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; Benzhydramine; 2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine; Dibendrin; DPH; diphenhydramine |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.355 |
| Purity | 98.00 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 343.7±27.0 °C at 760 mmHg |
| Melting Point | 167-172°C |
| Appearance | Transparent light yellow liquid |
| Storage Condition | Ventilated, low-temperature drying, stored separat |
| Application | Diphenhydramine is a first-generation histamine H1 receptor antagonist with anticholinergic effects. Diphenhydramine hydrochloride can cross the sheep blood-brain barrier [1][2]. |
| EINECS | 200-396-7 |
| HTC | 2922199090 |
| SMILES | CN(C)CCOC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 |
| InChI Key | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
| MSDS | msds/16790_1_58_73_1.pdf |
| Use of | Diphenhydramine is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2]. Properties Name diphenhydramine Synonym More Synonyms diphenhydramine Biological Activity Description Diphenhydramine is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Signaling Pathways >> GPCR/G Protein >> Histamine Receptor References [1]. Jason P Berninger, et al. Effects of the antihistamine diphenhydramine on selected aquatic organisms. Environ Toxicol Chem. 2011 Sep;30(9):2065-72. Chemical & Physical Properties Molecular Formula C17H21NO Exact Mass 255.162308 PSA 12.47000 Index of Refraction 1.551 InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C17-H21-N-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : 1N1&2OYR&R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : DOSE/DURATION : 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 : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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 : 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 : 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 : 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 : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : 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 : 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 : 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 : 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 : 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 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 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 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 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 : 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 2-(Dimethylamin... benzhydryl chlo... diphenhydramine Literature: Snead, David R.; Jamison, Timothy F. Chemical Science, 2013 , vol. 4, # 7 p. 2822 - 2827 2-benzhydryloxy... 26926-47-6 Dimethylamine diphenhydramine 2-(dimethylamin... 1119277-62-1 Literature: Journal of the American Chemical Society, , vol. 131, p. 1766 - 1774 Diphenhydramine... diphenhydramine Precursor & DownStream Precursor 9 CAS#:108-01-0 2-(Dimethylamin... CAS#:90-99-3 benzhydryl chloride CAS#:26926-47-6 2-benzhydryloxy... CAS#:124-40-3 Dimethylamine DownStream 8 CAS#:3922-74-5 Diphenhydramine... CAS#:23084-88-0 Diphenylmethylv... CAS#:31065-89-1 [2-(diphenylmet... CAS#:17471-10-2 2-(DIPHENYLMETH... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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