Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Heptyn-2-one, 7-(1-pyrrolidinyl)-, oxalate (1:1)
RN: 3921-90-2
InChIKey: OBVQUXRHVYQWMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O.C2-H2-O4

Molecular Weight

  • 269.295
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 7-Pyrrolidin-1'-ylhept-5-yn-2-one hydrogen oxalate

Systematic Name

  • 5-Heptyn-2-one, 7-(1-pyrrolidinyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 3921-90-2

System Generated Number

  • 0003921902

Molecular Formulas

Molecular Formula

  • C11-H17-N-O.C2-H2-O4

Molecular Formula Fragments

  • C11-H17-N-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NO.C2H2O4/c1-11(13)7-3-2-4-8-12-9-5-6-10-12;3-1(4)2(5)6/h3,5-10H2,1H3;(H,3,4)(H,5,6)

InChIKey

OBVQUXRHVYQWMZ-UHFFFAOYSA-N

Smiles

[NH+]1(CCCC1)CC#CCCC(C)=O.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 26, Pg. 56, 1966.