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Substance Name: Mandelic acid, alpha-(1-pentynyl)-, 3-quinuclidinyl ester
RN: 101711-11-9
InChIKey: YNSMYWAXUANYJM-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.422
 
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Names and Synonyms

Synonym

  • 3-Quinuclidyl phenyl(1-pentynyl)glycolate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101711-11-9

System Generated Number

  • 0101711119

Structure Descriptors

InChI

1S/C20H25NO3/c1-2-3-7-12-20(23,17-8-5-4-6-9-17)19(22)24-18-15-21-13-10-16(18)11-14-21/h4-6,8-9,16,18,23H,2-3,10-11,13-15H2,1H3

InChIKey

YNSMYWAXUANYJM-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(C#CCCC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11343,