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Substance Name: Mandelic acid, alpha-benzyl-, 3-quinuclidinyl ester, hydrochloride
RN: 101756-48-3
InChIKey: OERVNGLOOAWZAB-UHFFFAOYSA-N

Molecular Formula

  • C22-H25-N-O3.Cl-H

Molecular Weight

  • 387.904
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl benzylphenylglycolate hydrochloride
  • alpha-Benzylmandelic acid 3-quinuclidinyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-benzyl-, 3-quinuclidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-48-3

System Generated Number

  • 0101756483

Molecular Formulas

Molecular Formula

  • C22-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO3.ClH/c24-21(26-20-16-23-13-11-18(20)12-14-23)22(25,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17;/h1-10,18,20,25H,11-16H2;1H

InChIKey

OERVNGLOOAWZAB-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CC[NH+](C2)CC3)=O)(Cc2ccccc2)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 52mg/kg (52mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11161,