Introduction:Basic information about CAS 58-73-1|diphenhydramine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | diphenhydramine |
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| CAS Number | 58-73-1 | Molecular Weight | 255.355 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 343.7±27.0 °C at 760 mmHg |
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| Molecular Formula | C17H21NO | Melting Point | 167-172°C |
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| MSDS | / | Flash Point | 101.5±26.0 °C |
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Names
| Name | diphenhydramine |
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| Synonym | More Synonyms |
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diphenhydramine BiologicalActivity
| 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]. |
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| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Histamine ReceptorResearch Areas >>Inflammation/ImmunologySignaling Pathways >>GPCR/G Protein >>Histamine Receptor |
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| 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. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 343.7±27.0 °C at 760 mmHg |
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| Melting Point | 167-172°C |
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| Molecular Formula | C17H21NO |
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| Molecular Weight | 255.355 |
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| Flash Point | 101.5±26.0 °C |
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| Exact Mass | 255.162308 |
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| PSA | 12.47000 |
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| LogP | 3.66 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.551 |
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| InChIKey | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
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| SMILES | CN(C)CCOC(c1ccccc1)c1ccccc1 |
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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 DATAACUTE 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)
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2922199090 |
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Customs
| HS Code | 2922199090 |
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| 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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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 |
| Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl- |
| Benzhydramine |
| 2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine |
| Dibendrin |
| DPH |
| diphenhydramine |