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Substance Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3-chloro-4-methoxyphenyl)-1-((methylthio)methyl)-
RN: 115764-99-3
InChIKey: BBXXHKXXVFOSLK-UHFFFAOYSA-N

Molecular Formula

  • C19-H16-Cl2-N4-O-S

Molecular Weight

  • 419.3344
 
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Names and Synonyms

Synonym

  • BRN 4589647

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115764-99-3

System Generated Number

  • 0115764993

Structure Descriptors

InChI

1S/C19H16Cl2N4OS/c1-26-16-6-3-11(7-14(16)21)19-13-8-12(20)4-5-15(13)25-17(9-22-19)23-24-18(25)10-27-2/h3-8H,9-10H2,1-2H3

InChIKey

BBXXHKXXVFOSLK-UHFFFAOYSA-N

Smiles

COc1ccc(cc1Cl)C2=NCc3nnc(CSC)n3c4ccc(Cl)cc24

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 361, 1988.