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Substance Name: Indole, 3-(3-amino-2-butyl)-5-benzylthio-
RN: 5102-10-3
InChIKey: QTPKJXSZCGWIIV-UHFFFAOYSA-N

Molecular Formula

  • C19-H22-N2-S

Molecular Weight

  • 310.463
 
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Names and Synonyms

Synonyms

  • 3-(2'-Aminobutyl-3')-5-benzylthioindole
  • 5-22-12-00101 (Beilstein Handbook Reference)
  • BRN 0422263

Systematic Name

  • Indole, 3-(3-amino-2-butyl)-5-benzylthio-

Registry Numbers

CAS Registry Number

  • 5102-10-3

System Generated Number

  • 0005102103

Structure Descriptors

InChI

1S/C19H22N2S/c1-13(14(2)20)18-11-21-19-9-8-16(10-17(18)19)22-12-15-6-4-3-5-7-15/h3-11,13-14,21H,12,20H2,1-2H3

InChIKey

QTPKJXSZCGWIIV-UHFFFAOYSA-N

Smiles

c12c(c[nH]c1ccc(c2)SCc1ccccc1)[C@@H]([C@@H](C)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12407,