63716-99-4

63716-99-4 structure

63716-99-4 structure

Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline,hydrate,dihydrochloride
Chemical Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline,hydrate,dihydrochloride
CAS Number: 63716-99-4
Molecular Formula: C₃₈H₄₈Cl₆N₄OS₂
Molecular Weight: 853.66200
Create Date: 2017-06-23 00:24:50
Modify Date: 2024-01-17 18:22:55

Name	4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline,hydrate,dihydrochloride
Synonyms	4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline hydrate dihydrochloride 2-(3-Pyrrolidinopropylamino)-4',5-dichloro-(1-diphenylsulfide) monohydrochloride hemihydrate USAF AB-31 4-chloro-2-[(4-chlorophenyl)sulfanyl]-n-[3-(pyrrolidin-1-yl)propyl]aniline hydrochloride hydrate(2:2:1) 1-Pyrrolidinepropanamine,N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-,monohydrochloride,hemihydrate

Molecular Formula	C₃₈H₄₈Cl₆N₄OS₂
Molecular Weight	853.66200
Exact Mass	850.14000
PSA	90.37000
LogP	13.64630

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY1880000

CHEMICAL NAME :: 1-Pyrrolidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate

CAS REGISTRY NUMBER :: 63716-99-4

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H22-Cl2-N2-S.Cl-H.1/2H2-O

MOLECULAR WEIGHT :: 390.35

WISWESSER LINE NOTATION :: T5NTJ A3MR DG BSR DG 2 &GH 2 &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,171,1959