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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-NSmiles
c1c(c(ccn1)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. |