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Substance Name: Mandelic acid, alpha-cyclopentyl-, (1-methyl-3-pyrrolin-3-yl)methyl ester, hydrochloride
RN: 101710-87-6
InChIKey: MFPSUWFQXGJJFO-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3.Cl-H

Molecular Weight

  • 351.871
 
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Names and Synonyms

Synonym

  • 3-(1-Methyl-3-pyrroline)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, (1-methyl-3-pyrrolin-3-yl)methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-87-6

System Generated Number

  • 0101710876

Molecular Formulas

Molecular Formula

  • C19-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25NO3.ClH/c1-20-12-11-15(13-20)14-23-18(21)19(22,17-9-5-6-10-17)16-7-3-2-4-8-16;/h2-4,7-8,11,17,22H,5-6,9-10,12-14H2,1H3;1H

InChIKey

MFPSUWFQXGJJFO-UHFFFAOYSA-N

Smiles

c1([C@@](C2CCCC2)(C(OCC2=CC[N@@H+](C2)C)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11859,