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Substance Name: 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-
RN: 899-80-9
InChIKey: DENWQNUGTUJDNR-UHFFFAOYSA-N

Molecular Formula

  • C18-H16-N2-O-S

Molecular Weight

  • 308.403
 
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Names and Synonyms

Synonyms

  • 5-25-02-00105 (Beilstein Handbook Reference)
  • 6-Benzylthio-1,2,3,4-tetrahydro-1-oxo-beta-carboline
  • BRN 0685543

Systematic Name

  • 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-

Registry Numbers

CAS Registry Number

  • 899-80-9

System Generated Number

  • 0000899809

Structure Descriptors

InChI

1S/C18H16N2OS/c21-18-17-14(8-9-19-18)15-10-13(6-7-16(15)20-17)22-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)

InChIKey

DENWQNUGTUJDNR-UHFFFAOYSA-N

Smiles

N1CCc2c([nH]c3ccc(cc23)SCc2ccccc2)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12181,