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CAS No.: | 486-17-9 |
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Name: | captodiame |
Molecular Structure: | |
Formula: | C21H29 N S2 |
Molecular Weight: | 359.6 |
Synonyms: | Ethylamine,2-[[p-(butylthio)-a-phenylbenzyl]thio]-N,N-dimethyl- (6CI,7CI,8CI); 2-[[p-(Butylthio)-a-phenylbenzyl]thio]-N,N-dimethylethylamine;Captodiam; Captodiame; Captodiamin; Captodiamine; Captodramin; Captodramine;Covatin; p-Butylmercaptobenzhydryl b-dimethylaminoethyl sulfide; p-Butylthiodiphenylmethyl2-dimethylaminoethyl sulfide |
Density: | 1.08g/cm3 |
Boiling Point: | 466.1°Cat760mmHg |
Flash Point: | 235.7°C |
Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
PSA: | 53.84000 |
LogP: | 5.96300 |
Empirical Formula of Captodiame (CAS NO.486-17-9): C21H29NS2
Molecular Weight: 359.5917
EINECS: 207-629-1
Index of Refraction: 1.596
Density: 1.08 g/cm3
Flash Point: 235.7 °C
Enthalpy of Vaporization: 72.79 kJ/mol
Boiling Point: 466.1 °C at 760 mmHg
Vapour Pressure: 7.26E-09 mmHg at 25 °C
Structure of Captodiame (CAS NO.486-17-9):
IUPAC Name: 2-[(4-Butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
Canonical SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C
InChI: InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey: IZLPZXSZLLELBJ-UHFFFAOYSA-N
1. | orl-rat LD50:3800 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),154. | ||
2. | ipr-rat LD50:343 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),154. | ||
3. | orl-mus LD50:1630 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),154. | ||
4. | ipr-mus LD50:116 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 108 (1953),201. | ||
5. | scu-mus LD50:1750 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 136 (1962),440. |
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Captodiame , its cas register number is 486-17-9. It also can be called Captodramine ; Covatine ; Covatix ; and Suvren . Captodiame (CAS NO.486-17-9) is a derivative of diphenhydramine, and is an antihistamine sold which is used as a sedative and anxiolytic.