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Substance Name: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N,9-dimethyl-
RN: 105219-62-3
InChIKey: NYKQFDZWSDQDNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-Cl-N5-O-S

Molecular Weight

  • 399.9042
 
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Names and Synonyms

  • 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N,9-dimethyl-

Registry Numbers

CAS Registry Number

  • 105219-62-3

System Generated Number

  • 0105219623

Structure Descriptors

InChI

1S/C19H18ClN5OS/c1-11-23-24-16-10-22-18(13-5-3-4-6-15(13)20)14-9-12(7-8-17(26)21-2)27-19(14)25(11)16/h3-6,9H,7-8,10H2,1-2H3,(H,21,26)

InChIKey

NYKQFDZWSDQDNA-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CCC(=O)NC)C(=NC2)c4ccccc4Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4968794,
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4968794,