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Substance Name: Mandelic acid, alpha-(1-butenyl)-, 3-quinuclidinyl ester
RN: 101756-50-7
InChIKey: UJIBIAPCIOGRFK-QDEBKDIKSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(1-butenyl)glycolate A
  • 3-Quinuclidyl phenyl(1-butenyl)glycolate B
  • alpha-(1-Butenyl)mandelic acid 3-quinuclidinyl ester

Systematic Name

  • Mandelic acid, alpha-(1-butenyl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101756-50-7

System Generated Number

  • 0101756507

Structure Descriptors

InChI

1S/C19H25NO3/c1-2-3-11-19(22,16-7-5-4-6-8-16)18(21)23-17-14-20-12-9-15(17)10-13-20/h3-8,11,15,17,22H,2,9-10,12-14H2,1H3/b11-3+

InChIKey

UJIBIAPCIOGRFK-QDEBKDIKSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(\C=C\CC)O)ccccc1

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#11450,