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Substance Name: Mandelic acid, alpha-cyclopentyl-, 2-(3-quinuclidinylene)ethyl ester, hydrochloride
RN: 101710-89-8
InChIKey: VYRIXWGSYXASMV-UWRQUICRSA-N

Molecular Formula

  • C22-H29-N-O3.Cl-H

Molecular Weight

  • 391.936
 
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Names and Synonyms

Synonym

  • delta(sup 3,beta)-Quinuclidineethyl-alpha-cyclopentyl-alpha-phenylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 2-(3-quinuclidinylene)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-89-8

System Generated Number

  • 0101710898

Molecular Formulas

Molecular Formula

  • C22-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO3.ClH/c24-21(26-15-12-18-16-23-13-10-17(18)11-14-23)22(25,20-8-4-5-9-20)19-6-2-1-3-7-19;/h1-3,6-7,12,17,20,25H,4-5,8-11,13-16H2;1H/b18-12-;

InChIKey

VYRIXWGSYXASMV-UWRQUICRSA-N

Smiles

C1([C@@](c2ccccc2)(C(OC\C=C2/C3CC[NH+](C2)CC3)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11922,