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Substance Name: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-
RN: 153901-45-2
InChIKey: MPTRWTCLOASBBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-N4-S

Molecular Weight

  • 354.8635
 
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Names and Synonyms

Synonym

  • 8-Chloro-1-methyl-5-(methylthio)-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine

Systematic Name

  • 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-

Registry Numbers

CAS Registry Number

  • 153901-45-2

System Generated Number

  • 0153901452

Structure Descriptors

InChI

1S/C18H15ClN4S/c1-12-20-21-17-11-18(24-2)23(14-6-4-3-5-7-14)16-10-13(19)8-9-15(16)22(12)17/h3-11H,1-2H3

InChIKey

MPTRWTCLOASBBX-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3ccc(cc3N(C(=C2)SC)c4ccccc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 577, 1993.