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Substance Name: 2-Pyrrolidinecarboxamide, N-(4-hexahydro-1(2H)-azocinyl)-2-butynyl-5-oxo-, (S)-
RN: 81639-00-1
InChIKey: NIRVYQMDGPOHMF-AWEZNQCLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N3-O2

Molecular Weight

  • 291.3925
 
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Names and Synonyms

Synonym

  • (S)-N-(4-Hexahydro-1(2H)-azocinyl)-2-butynyl-5-oxo-2-pyrrolidinecarboxamide

Systematic Name

  • 2-Pyrrolidinecarboxamide, N-(4-hexahydro-1(2H)-azocinyl)-2-butynyl-5-oxo-, (S)-

Registry Numbers

CAS Registry Number

  • 81639-00-1

System Generated Number

  • 0081639001

Structure Descriptors

InChI

1S/C16H25N3O2/c20-15-9-8-14(18-15)16(21)17-10-4-7-13-19-11-5-2-1-3-6-12-19/h14H,1-3,5-6,8-13H2,(H,17,21)(H,18,20)/t14-/m0/s1

InChIKey

NIRVYQMDGPOHMF-AWEZNQCLSA-N

Smiles

C1CCCN(CCC1)CC#CCNC(=O)[C@@H]2CCC(=O)N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 22438mg/kg (22438mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 49, 1982.