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Substance Name: Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester
RN: 108479-11-4
InChIKey: YWPBBVWCVHINNR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2-S

Molecular Weight

  • 307.456
 
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Names and Synonyms

Synonyms

  • 1-(2-(Methylthio)ethyl)-4-phenylisonipecotic acid ethyl ester
  • 4-22-00-01017 (Beilstein Handbook Reference)
  • BRN 0271844
  • TA 59

Systematic Name

  • Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 108479-11-4

System Generated Number

  • 0108479114

Structure Descriptors

InChI

1S/C17H25NO2S/c1-3-20-16(19)17(15-7-5-4-6-8-15)9-11-18(12-10-17)13-14-21-2/h4-8H,3,9-14H2,1-2H3

InChIKey

YWPBBVWCVHINNR-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(CCSC)CC1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 247, 1960.