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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)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-N-hexadecyl-1-methyl-
RN: 132418-34-9
InChIKey: OZWPGLLFPJRYQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H49-Cl-N6-S2

Molecular Weight

  • 653.3991
 
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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)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-N-hexadecyl-1-methyl-

Registry Numbers

CAS Registry Number

  • 132418-34-9

System Generated Number

  • 0132418349

Structure Descriptors

InChI

1S/C35H49ClN6S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-37-35(43)41-23-21-28-30(25-41)44-34-32(28)33(27-19-16-17-20-29(27)36)38-24-31-40-39-26(2)42(31)34/h16-17,19-20H,3-15,18,21-25H2,1-2H3,(H,37,43)

InChIKey

OZWPGLLFPJRYQW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCNC(=S)N1CCc2c(sc-3c2C(=NCc4n3c(nn4)C)c5ccccc5Cl)C1

Toxicity

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