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Substance Name: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-phenoxyphenyl)-
RN: 132418-47-4
InChIKey: MBBQVJNZKVPIPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H25-Cl-N6-O2-S

Molecular Weight

  • 581.0975
 
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Names and Synonyms

  • 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-phenoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 132418-47-4

System Generated Number

  • 0132418474

Structure Descriptors

InChI

1S/C31H25ClN6O2S/c1-19-35-36-27-17-33-29(23-9-5-6-10-25(23)32)28-24-15-16-37(18-26(24)41-30(28)38(19)27)31(39)34-20-11-13-22(14-12-20)40-21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H,34,39)

InChIKey

MBBQVJNZKVPIPA-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=O)Nc5ccc(cc5)Oc6ccccc6)C(=NC2)c7ccccc7Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5492906,
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   United States Patent Document. Vol. #5492906,