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Substance Name: Isonipecotic acid, 1-(2-(ethylthio)ethyl)-4-phenyl-, ethyl ester
RN: 101888-46-4
InChIKey: XYDWMDUXTKQWRR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2-S

Molecular Weight

  • 321.482
 
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Names and Synonyms

Synonyms

  • 1-(2-(Ethylthio)ethyl)-4-phenylisonipecotic acid ethyl ester
  • 4-22-00-01017 (Beilstein Handbook Reference)
  • BRN 0279252
  • TA 58

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101888-46-4

System Generated Number

  • 0101888464

Structure Descriptors

InChI

1S/C18H27NO2S/c1-3-21-17(20)18(16-8-6-5-7-9-16)10-12-19(13-11-18)14-15-22-4-2/h5-9H,3-4,10-15H2,1-2H3

InChIKey

XYDWMDUXTKQWRR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 247, 1960.