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Substance Name: Nicotinic acid, 5-thiocyanatopentyl ester
RN: 101952-79-8
InChIKey: MIEUZIWGYDQEJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O2-S

Molecular Weight

  • 250.321
 
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Names and Synonyms

Synonyms

  • 4-22-00-00373 (Beilstein Handbook Reference)
  • 5-Thiocyanatopentyl nicotinate
  • BRN 0198675

Systematic Name

  • Nicotinic acid, 5-thiocyanatopentyl ester

Registry Numbers

CAS Registry Number

  • 101952-79-8

System Generated Number

  • 0101952798

Structure Descriptors

InChI

1S/C12H14N2O2S/c13-10-17-8-3-1-2-7-16-12(15)11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2

InChIKey

MIEUZIWGYDQEJP-UHFFFAOYSA-N

Smiles

c1(C(OCCCCCSC#N)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.