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Substance Name: Mandelic acid, alpha-cyclobutyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride
RN: 101756-56-3
InChIKey: JPQNOCVDOXCYRD-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3.Cl-H

Molecular Weight

  • 351.871
 
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Names and Synonyms

  • Mandelic acid, alpha-cyclobutyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-56-3

System Generated Number

  • 0101756563

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

InChIKey

JPQNOCVDOXCYRD-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCC=2CC[N@@H+](C)CC2)=O)O)CCC1.[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#11818,