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Substance Name: Indole, 3-(2-amino-1-propyl)-5-benzylthio-, hydrochloride
RN: 101832-81-9
InChIKey: PWSZLPBXUJQUCC-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-N2-S.Cl-H

Molecular Weight

  • 332.897
 
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Names and Synonyms

Synonym

  • 3-(2-Aminopropyl)-5-benzylthioindole hydrochloride

Systematic Name

  • Indole, 3-(2-amino-1-propyl)-5-benzylthio-, hydrochloride

Registry Numbers

CAS Registry Number

  • 101832-81-9

System Generated Number

  • 0101832819

Molecular Formulas

Molecular Formula

  • C18-H20-N2-S.Cl-H

Molecular Formula Fragments

  • C18-H20-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N2S.ClH/c1-13(19)9-15-11-20-18-8-7-16(10-17(15)18)21-12-14-5-3-2-4-6-14;/h2-8,10-11,13,20H,9,12,19H2,1H3;1H

InChIKey

PWSZLPBXUJQUCC-UHFFFAOYSA-N

Smiles

c12c([nH]cc1C[C@@H](C)[NH3+])ccc(c2)SCc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12311,