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Substance Name: Heptanoic acid, 2-hydroxy-2-isopropentyl-, 2-methyl-3-quinuclidinyl ester
RN: 101913-72-8
InChIKey: LYGSRXNHWWWSOH-UHFFFAOYSA-N

Molecular Formula

  • C18-H31-N-O3

Molecular Weight

  • 309.447
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-quinuclidyl-n-amyl(isopropenyl)glycolate A
  • 2-Methyl-3-quinuclidyl-n-amyl(isopropenyl)glycolate B

Systematic Name

  • Heptanoic acid, 2-hydroxy-2-isopropentyl-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101913-72-8

System Generated Number

  • 0101913728

Structure Descriptors

InChI

1S/C18H31NO3/c1-5-6-7-10-18(21,13(2)3)17(20)22-16-14(4)19-11-8-15(16)9-12-19/h14-16,21H,2,5-12H2,1,3-4H3

InChIKey

LYGSRXNHWWWSOH-UHFFFAOYSA-N

Smiles

C12[C@@H]([C@@H](N(CC1)CC2)C)OC([C@@](CCCCC)(C(C)=C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11921,