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Substance Name: Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-beta-yl ester, hydrochloride
RN: 101710-82-1
InChIKey: SBJYTWQWLAYQLA-UHFFFAOYSA-N

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Weight

  • 393.952
 
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Names and Synonyms

Synonym

  • 9-Methyl-3-beta-granatanyl phenylcyclopentylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-beta-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-82-1

System Generated Number

  • 0101710821

Molecular Formulas

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NO3.ClH/c1-23-18-12-7-13-19(23)15-20(14-18)26-21(24)22(25,17-10-5-6-11-17)16-8-3-2-4-9-16;/h2-4,8-9,17-20,25H,5-7,10-15H2,1H3;1H

InChIKey

SBJYTWQWLAYQLA-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(O[C@H]2C[C@@H]3[NH+](C)[C@@H](C2)CCC3)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10964,