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Substance Name: 1-Pyrrolidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate
RN: 63716-99-4
InChIKey: BWYQRNCUKAFTOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl2-N2-S.Cl-H.1/2H2-O

Molecular Weight

  • 853.674
 
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Names and Synonyms

Synonyms

  • 2-(3-Pyrrolidinopropylamino)-4',5-dichloro-(1-diphenylsulfide) monohydrochloride hemihydrate
  • USAF AB-31

Systematic Name

  • 1-Pyrrolidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 63716-99-4

System Generated Number

  • 0063716994

Molecular Formulas

Molecular Formula

  • C19-H22-Cl2-N2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C19-H22-Cl2-N2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H22Cl2N2S.2ClH.H2O/c2*20-15-4-7-17(8-5-15)24-19-14-16(21)6-9-18(19)22-10-3-13-23-11-1-2-12-23;;;/h2*4-9,14,22H,1-3,10-13H2;2*1H;1H2

InChIKey

BWYQRNCUKAFTOU-UHFFFAOYSA-N

Smiles

c1(Sc2c(ccc(c2)Cl)NCCCN2CCCC2)ccc(cc1)Cl.Cl.Cl.O.c1(Sc2c(ccc(c2)Cl)NCCCN2CCCC2)ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 171, 1959.