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Substance Name: Mandelic acid, alpha-(1-cyclopentenyl)-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester
RN: 93101-74-7
InChIKey: GURMBSRAXNTMAC-UHFFFAOYSA-N

Molecular Formula

  • C21-H25-N-O3

Molecular Weight

  • 339.432
 
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Names and Synonyms

Synonym

  • 3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl phenyl(1-cyclopentenyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(1-cyclopentenyl)-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 93101-74-7

System Generated Number

  • 0093101747

Structure Descriptors

InChI

1S/C21H25NO3/c23-20(25-15-17-14-22-12-10-16(17)11-13-22)21(24,19-8-4-5-9-19)18-6-2-1-3-7-18/h1-3,6-8,14,16,24H,4-5,9-13,15H2

InChIKey

GURMBSRAXNTMAC-UHFFFAOYSA-N

Smiles

C=1([C@@](c2ccccc2)(C(OCC=2C3CCN(C2)CC3)=O)O)CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11870,