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Substance Name: Piperidine, 1-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
RN: 105219-66-7
InChIKey: ZWUMCOQJMUYQBM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl-N5-O-S

Molecular Weight

  • 453.9956
 
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Names and Synonyms

  • Piperidine, 1-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 105219-66-7

System Generated Number

  • 0105219667

Structure Descriptors

InChI

1S/C23H24ClN5OS/c1-15-26-27-20-14-25-22(17-7-3-4-8-19(17)24)18-13-16(31-23(18)29(15)20)9-10-21(30)28-11-5-2-6-12-28/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3

InChIKey

ZWUMCOQJMUYQBM-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)CCC(=O)N4CCCCC4)C(=NC2)c5ccccc5Cl

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,