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Substance Name: Mandelic acid, alpha-cyclobutyl-, 1,4-dimethyl-1,2,3,6-tetrahydro-3-pyridylmethyl ester, hydrochloride
RN: 101756-55-2
InChIKey: QYUMWZNOKQMUPH-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3.Cl-H

Molecular Weight

  • 365.898
 
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Names and Synonyms

  • Mandelic acid, alpha-cyclobutyl-, 1,4-dimethyl-1,2,3,6-tetrahydro-3-pyridylmethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-55-2

System Generated Number

  • 0101756552

Molecular Formulas

Molecular Formula

  • C20-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO3.ClH/c1-15-11-12-21(2)13-16(15)14-24-19(22)20(23,18-9-6-10-18)17-7-4-3-5-8-17;/h3-5,7-8,11,16,18,23H,6,9-10,12-14H2,1-2H3;1H

InChIKey

QYUMWZNOKQMUPH-UHFFFAOYSA-N

Smiles

c1([C@@](C2CCC2)(C(OC[C@@H]2C(=CC[N@@H+](C2)C)C)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11929,