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Substance Name: Heptanoic acid, 2-hydroxy-2-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
RN: 101913-75-1
InChIKey: NMHNBGUPVCGDPT-UHFFFAOYSA-N

Molecular Formula

  • C18-H29-N-O3

Molecular Weight

  • 307.431
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-quinuclidyl-n-amyl(1-propynyl)glycolate

Systematic Name

  • Heptanoic acid, 2-hydroxy-2-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101913-75-1

System Generated Number

  • 0101913751

Structure Descriptors

InChI

1S/C18H29NO3/c1-4-6-7-11-18(21,10-5-2)17(20)22-16-14(3)19-12-8-15(16)9-13-19/h14-16,21H,4,6-9,11-13H2,1-3H3

InChIKey

NMHNBGUPVCGDPT-UHFFFAOYSA-N

Smiles

C12[C@@H]([C@@H](N(CC1)CC2)C)OC([C@@](CCCCC)(C#CC)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#11907,