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Substance Name: Mandelic acid, alpha-(1-cyclopentenyl)-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester
RN: 93101-34-9
InChIKey: BAGNPUVOSGJQFR-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.422
 
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Names and Synonyms

Synonym

  • 1-Methyl-1-(1,2,3,6-tetrahydropyridine)methyl phenyl(1-cyclopentenyl)glycolate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93101-34-9

System Generated Number

  • 0093101349

Structure Descriptors

InChI

1S/C20H25NO3/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-9,11,23H,5-6,10,12-15H2,1H3

InChIKey

BAGNPUVOSGJQFR-UHFFFAOYSA-N

Smiles

C=1([C@@](c2ccccc2)(C(OCC=2CC[N@@](C)CC2)=O)O)CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11846,