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Substance Name: Nicotinic acid, 6-thiocyanatohexyl ester
RN: 101952-78-7
InChIKey: IESWZNJPBAPLIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N2-O2-S

Molecular Weight

  • 264.347
 
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Names and Synonyms

Synonyms

  • 4-22-00-00373 (Beilstein Handbook Reference)
  • 6-Thiocyanatohexyl nicotinate
  • BRN 0207804

Systematic Name

  • Nicotinic acid, 6-thiocyanatohexyl ester

Registry Numbers

CAS Registry Number

  • 101952-78-7

System Generated Number

  • 0101952787

Structure Descriptors

InChI

1S/C13H16N2O2S/c14-11-18-9-4-2-1-3-8-17-13(16)12-6-5-7-15-10-12/h5-7,10H,1-4,8-9H2

InChIKey

IESWZNJPBAPLIE-UHFFFAOYSA-N

Smiles

c1(C(OCCCCCCSC#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.