Introduction:Basic information about CAS 3810-80-8|diphenoxylate hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | diphenoxylate hydrochloride |
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| CAS Number | 3810-80-8 | Molecular Weight | 489.048 |
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| Density | / | Boiling Point | 602.3ºC at 760mmHg |
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| Molecular Formula | C30H33ClN2O2 | Melting Point | 220.0-222.5ºC |
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| MSDS | / | Flash Point | 318ºC |
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Names
| Name | diphenoxylate hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 602.3ºC at 760mmHg |
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| Melting Point | 220.0-222.5ºC |
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| Molecular Formula | C30H33ClN2O2 |
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| Molecular Weight | 489.048 |
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| Flash Point | 318ºC |
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| Exact Mass | 488.223053 |
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| PSA | 53.33000 |
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| LogP | 6.22318 |
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| InChIKey | SHTAFWKOISOCBI-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl |
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| Water Solubility | Very slightly soluble in water, freely soluble in methylene chloride, sparingly soluble in ethanol (96 per cent). |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NS5300000
- CHEMICAL NAME :
- Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride
- CAS REGISTRY NUMBER :
- 3810-80-8
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C30-H32-N2-O2.Cl-H
- MOLECULAR WEIGHT :
- 489.10
- WISWESSER LINE NOTATION :
- T6NTJ A2XR&R&CN DVO2 DR &GH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 221 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1633,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1636,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1636,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3182 No. of Facilities: 105 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 8242 (estimated) No. of Female Employees: 7235 (estimated)
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Safety Information
| RIDADR | UN 1544 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride (1:1) |
| DIPHENOXYLATE HYDROCHLORIDE |
| ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride |
| 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1) |
| DIPHENOXYLATE HYDROCHLORIDE ANTIPERISTAL TIC,ANTI |
| Ethyl-1-(3-cyan-3,3-diphenylpropyl)-4-phenylpiperidin-4-carboxylathydrochlorid |
| DIPHENOXYLATE HCL |
| Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate hydrochloride (1:1) |
| 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester Monohydrochloride |
| 1-(3-cyano-3,3-diphénylpropyl)-4-phénylpipéridine-4-carboxylate d'éthyle chlorhydrate |
| r1132 |
| 4-Ethoxycarbonyl-α,α,4-triphenyl-1-piperidinebutyronitrile, hydrochloride |