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Captodiame

Captodiame structure

CAS No:
486-17-9
Formula:
C21H29NS2
Chemical Name:
Captodiame
Synonyms:
Ethanamine,2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-;Ethylamine,2-[[p-(butylthio)-α-phenylbenzyl]thio]-N,N-dimethyl-;2-[[[4-(Butylthio)phenyl]phenylmethyl]thio]-N,N-dimethylethanamine;2-[[p-(Butylthio)-α-phenylbenzyl]thio]-N,N-dimethylethylamine;Captodiame;Captodiamin;Captodiamine;Covatin;p-Butylmercaptobenzhydryl β-dimethylaminoethyl sulfide;p-Butylthiodiphenylmethyl 2-dimethylaminoethyl sulfide;Captodiam;Captodramin;Captodramine
Categories:
Organic Chemistry > Amides

Description

Captodiame is a diarylmethane.|Captodiame, also known as captodiamine, is an antihistamine which is used as a sedative and anxiolytic. It is a derivative of diphenhydramine. Captodiame has been suggested for use in preventing benzodiazepine withdrawal syndrome.

Captodiame Basic Attributes

Molecular Weight：

359.59

Exact Mass：

359.59

EC Number：

207-629-1

ATC Code：

N - Nervous system

Characteristics

PSA：

53.8

XLogP3：

5.96300

Density：

1.08g/cm3

Melting Point：

124

Boiling Point：

466.1ºC at 760mmHg

Flash Point：

235.7ºC

Refractive Index：

1.596

Toxicity

Toxicity Summary：

-TDLo oral 17mg/kg (human) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX). PMID: 13535337. -LD50 intraperitoneal 116mg/kg (mouse) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD. PMID: 13062090. -LD50 intravenous 72mg/kg (mouse) BEHAVIORAL: ATAXIA. PMID: 14109651.

Drug Information

Drug Indication：

Captodiame is indicated for the treatment of anxiety.

Absorption：

Renal.

MeSH Entry Terms：

2-((p-(Butylthio)-alpha-phenylbenzyl)thio)-N,N-dimethylethylamine

Captodiame Use and Manufacturing

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:359.6
XLogP3:5.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:359.17414228
Monoisotopic Mass:359.17414228
Topological Polar Surface Area:53.8
Heavy Atom Count:24
Complexity:307
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes