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Substance Name: Mandelic acid, alpha-cyclopentyl-, 3-(4-phenylpiperidino)propyl ester, hydrochloride
RN: 15037-49-7
InChIKey: KEMJRHORYCWEJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-N-O3.Cl-H

Molecular Weight

  • 458.038
 
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Names and Synonyms

Synonym

  • alpha-Cyclopentylmandelic acid (3-(4-phenylpiperidino)propyl) ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 3-(4-phenylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 15037-49-7

System Generated Number

  • 0015037497

Molecular Formulas

Molecular Formula

  • C27-H35-N-O3.Cl-H

Molecular Formula Fragments

  • C27-H35-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35NO3.ClH/c29-26(27(30,24-13-7-8-14-24)23-11-3-1-4-12-23)31-21-9-10-22-17-19-28(20-18-22)25-15-5-2-6-16-25;/h1-6,11-12,15-16,22,24,30H,7-10,13-14,17-21H2;1H

InChIKey

KEMJRHORYCWEJC-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCCCC2CC[N+](c3ccccc3)CC2)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 290mg/kg (290mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 2840, 1967.