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Substance Name: Mandelic acid, alpha-cyclopentyl-, 1-cyclohexyl-3-pyrrolidinyl ester, hydrochloride
RN: 101710-78-5
InChIKey: DGEPCDCYOHENND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-N-O3.Cl-H

Molecular Weight

  • 407.979
 
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Names and Synonyms

Synonyms

  • AHR 451
  • alpha-Cyclopentylmandelic acid 1-cyclohexyl-3-pyrrolidinyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101710-78-5

System Generated Number

  • 0101710785

Molecular Formulas

Molecular Formula

  • C23-H33-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H33-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33NO3.ClH/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18;/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2;1H

InChIKey

DGEPCDCYOHENND-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(O[C@@H]2C[N@@H+](C3CCCCC3)CC2)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/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.