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Substance Name: Nicotinamide, 4-(2-bromoethylthio)-
RN: 13096-19-0
InChIKey: UNFBHTHXLRSKOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-Br-N2-O-S

Molecular Weight

  • 261.142
 
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Names and Synonyms

Synonyms

  • 3-Pyridinecarboxamide, 4-(2-bromoethylthio)-
  • 4-(2-Bromoethylthio)nicotinamide
  • 5-22-05-00112 (Beilstein Handbook Reference)
  • BRN 0392596

Systematic Name

  • Nicotinamide, 4-(2-bromoethylthio)-

Registry Numbers

CAS Registry Number

  • 13096-19-0

System Generated Number

  • 0013096190

Structure Descriptors

InChI

1S/C8H9BrN2OS/c9-2-4-13-7-1-3-11-5-6(7)8(10)12/h1,3,5H,2,4H2,(H2,10,12)

InChIKey

UNFBHTHXLRSKOD-UHFFFAOYSA-N

Smiles

c1c(c(ccn1)SCCBr)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 257, 1967.