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Substance Name: Cyclopentaneglycolic acid, alpha-(3-methylbut-ynyl)-, 2-methyl-3-quinuclidinyl ester
RN: 101932-08-5
InChIKey: XTMSIXVWPIMEEC-UHFFFAOYSA-N

Molecular Formula

  • C20-H31-N-O3

Molecular Weight

  • 333.4689
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-quinuclidyl cyclopentyl(3-methyl-1-butynyl)glycolate A
  • 2-Methyl-3-quinuclidyl cyclopentyl(3-methyl-1-butynyl)glycolate B

Systematic Name

  • Cyclopentaneglycolic acid, alpha-(3-methylbut-ynyl)-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101932-08-5

System Generated Number

  • 0101932085

Structure Descriptors

InChI

1S/C20H31NO3/c1-14(2)8-11-20(23,17-6-4-5-7-17)19(22)24-18-15(3)21-12-9-16(18)10-13-21/h14-18,23H,4-7,9-10,12-13H2,1-3H3

InChIKey

XTMSIXVWPIMEEC-UHFFFAOYSA-N

Smiles

CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11628,