CAS No 486-17-9 , 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine

Name: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
Synonyms: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine; Captodiamin; Captodiamo [INN-Spanish]; Captodramine; Covatix; Covatin; Captodramin; Captodiamum [INN-Latin];Captodiame; Kaptodiamin [Czech];
CAS Registry Number:486-17-9
Flash Point: 235.7°C
Boiling Point: 466.1°Cat760mmHg
Density: 1.08g/cm³
Refractive index: 1.596
Safety Statements: Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. See also .
Flash Point: 235.7°C
EINECS: 207-629-1
Molecular Weight: 359.59166
InchiKey: IZLPZXSZLLELBJ-UHFFFAOYSA-N
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
Molecular Formula: C₂₁H₂₉NS₂
Molecular Structure:

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References of 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine

Title: Captodiamine
CAS Registry Number: 486-17-9
CAS Name: 2-[[[4-(Butylthio)phenyl]phenylmethyl]thio]-N,N-dimethylethanamine
Synonyms: 2-[p-(butylthio)-a-phenylbenzylthio]-N,N-dimethylethylamine; p-butylmercaptobenzhydryl b-dimethylaminoethyl sulfide; p-butylthiodiphenylmethyl 2-dimethylaminoethyl sulfide; captodiam; captodramin
Molecular Formula: C21H29NS2
Molecular Weight: 359.59
Percent Composition: C 70.14%, H 8.13%, N 3.90%, S 17.83%
Literature References: Prepn: Hübner, Petersen, US 2830088 (1958). Pharmacological studies: R. Kopf, I. Moller-Nielsen, Arzneim.-Forsch. 8, 154 (1958).

Derivative Type: Hydrochloride
CAS Registry Number: 904-04-1
Trademarks: Covatine (Bailly); Covatix (Gecke); Suvren (Ayerst)
Molecular Formula: C21H29NS2.HCl
Molecular Weight: 396.05
Percent Composition: C 63.69%, H 7.63%, N 3.54%, S 16.19%, Cl 8.95%
Properties: Crystals, mp 131-132°. LD50 (96 hr) in mice, rats (mg/kg): 180, 343 i.p.; 1630, 3800 orally (Kopf, Moller-Nielsen).
Melting point: mp 131-132°
Toxicity data: LD50 (96 hr) in mice, rats (mg/kg): 180, 343 i.p.; 1630, 3800 orally (Kopf, Moller-Nielsen)

Therap-Cat: Anxiolytic.
Keywords: Anxiolytic.