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Substance Name: Rocepafant [INN]
RN: 132418-36-1
UNII: 4KGX1STY2N
InChIKey: WBGAFGNZNGJVNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H23-Cl-N6-O-S2

Molecular Weight

  • 535.0937
 
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Names and Synonyms

Name of Substance

  • Rocepafant [INN]

Synonyms

  • 6-(o-Chlorophenyl)-7,10-dihydro-1-methylthio-4H-pyrido(4',3':4,5)thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxy-p-anisidide
  • Rocepafant
  • UNII-4KGX1STY2N

Systematic Names

  • 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-(4-methoxyphenyl)-1-methyl-
  • 6-(o-Chlorophenyl)-7,10-dihydro-1-methylthio-4H-pyrido(4',3':4,5)thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxy-p-anisidide

Registry Numbers

CAS Registry Number

  • 132418-36-1

FDA UNII

  • 4KGX1STY2N

System Generated Number

  • 0132418361

Structure Descriptors

InChI

1S/C26H23ClN6OS2/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(35)29-16-7-9-17(34-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,35)

InChIKey

WBGAFGNZNGJVNW-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=S)Nc5ccc(cc5)OC)C(=NC2)c6ccccc6Cl

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,