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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)-9-methyl-N-(1-methylethyl)-
RN: 105219-63-4
InChIKey: XXIZNRTUEJEKML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N5-O-S

Molecular Weight

  • 427.9578
 
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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)-9-methyl-N-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 105219-63-4

System Generated Number

  • 0105219634

Structure Descriptors

InChI

1S/C21H22ClN5OS/c1-12(2)24-19(28)9-8-14-10-16-20(15-6-4-5-7-17(15)22)23-11-18-26-25-13(3)27(18)21(16)29-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,24,28)

InChIKey

XXIZNRTUEJEKML-UHFFFAOYSA-N

Smiles

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