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Substance Name: Nicotinic acid, 2-((diphenylmethyl)thio)ethyl ester
RN: 101952-60-7
InChIKey: GWKVFEMBJSLBIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O2-S

Molecular Weight

  • 349.452
 
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Names and Synonyms

Synonyms

  • 2-((Diphenylmethyl)thio)ethyl nicotinate
  • 4-22-00-00372 (Beilstein Handbook Reference)
  • BRN 0311750

Systematic Name

  • Nicotinic acid, 2-((diphenylmethyl)thio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-60-7

System Generated Number

  • 0101952607

Structure Descriptors

InChI

1S/C21H19NO2S/c23-21(19-12-7-13-22-16-19)24-14-15-25-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,20H,14-15H2

InChIKey

GWKVFEMBJSLBIQ-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)SCCOC(c1cccnc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.