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Substance Name: Mandelic acid, alpha-cyclopentyl-, 1-benzyl-3-pyrrolidinyl ester
RN: 101710-76-3
InChIKey: WVTNQLYDZSNBLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O3

Molecular Weight

  • 379.497
 
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Names and Synonyms

Synonyms

  • AHR 480
  • alpha-Cyclopentylmandelic acid 1-benzyl-3-pyrrolidinyl ester
  • BRN 1404232

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 1-benzyl-3-pyrrolidinyl ester

Registry Numbers

CAS Registry Number

  • 101710-76-3

System Generated Number

  • 0101710763

Structure Descriptors

InChI

1S/C24H29NO3/c26-23(24(27,21-13-7-8-14-21)20-11-5-2-6-12-20)28-22-15-16-25(18-22)17-19-9-3-1-4-10-19/h1-6,9-12,21-22,27H,7-8,13-18H2

InChIKey

WVTNQLYDZSNBLZ-UHFFFAOYSA-N

Smiles

c1([C@@](C2CCCC2)(C(O[C@@H]2C[N@@](Cc3ccccc3)CC2)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 254mg/kg (254mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.