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Substance Name: 1-Piperidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate
RN: 73771-82-1
InChIKey: AOERTNBNLNUGEM-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-Cl2-N2-S.Cl-H.1/2H2-O

Molecular Weight

  • 881.7278
 
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Names and Synonyms

Synonyms

  • 2-(3-Piperidinopropylamino)-3,4-dichloro(1-diphenyl sulfide) monohydrochloride hemihydrate
  • USAF AB-433

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73771-82-1

System Generated Number

  • 0073771821

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H24-Cl2-N2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H24Cl2N2S.2ClH.H2O/c2*21-16-5-8-18(9-6-16)25-20-15-17(22)7-10-19(20)23-11-4-14-24-12-2-1-3-13-24;;;/h2*5-10,15,23H,1-4,11-14H2;2*1H;1H2

InChIKey

AOERTNBNLNUGEM-UHFFFAOYSA-N

Smiles

c1cc(ccc1Sc2cc(ccc2NCCCN3CCCCC3)Cl)Cl.c1cc(ccc1Sc2cc(ccc2NCCCN3CCCCC3)Cl)Cl.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,