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Substance Name: Mandelic acid, alpha-cyclopropyl-, 2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)ethyl ester
RN: 93101-38-3
InChIKey: YMGCPBDDLMWGDO-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
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Names and Synonyms

Synonym

  • 4-(1-Methyl-1,2,3,6-tetrahydropyridine)ethyl-alpha-cyclopropyl-alpha-phenylglycolate

Systematic Name

  • Mandelic acid, alpha-cyclopropyl-, 2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 93101-38-3

System Generated Number

  • 0093101383

Structure Descriptors

InChI

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

InChIKey

YMGCPBDDLMWGDO-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCCC=2CC[N@@](C)CC2)=O)O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11900,