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Substance Name: Mandelic acid, alpha-cyclopentyl-, 1-butyl-3-pyrrolidinyl ester, hydrochloride
RN: 101710-77-4
InChIKey: NJJMKEDPPMDESA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N-O3.Cl-H

Molecular Weight

  • 381.941
 
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Names and Synonyms

Synonyms

  • AHR 371
  • alpha-Cyclopentylmandelic acid 1-butyl-3-pyrrolidinyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 1-butyl-3-pyrrolidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-77-4

System Generated Number

  • 0101710774

Molecular Formulas

Molecular Formula

  • C21-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31NO3.ClH/c1-2-3-14-22-15-13-19(16-22)25-20(23)21(24,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,24H,2-3,7-8,11-16H2,1H3;1H

InChIKey

NJJMKEDPPMDESA-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(O[C@@H]2C[N@@H+](CCCC)CC2)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 151mg/kg (151mg/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.