Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Azetidinol, 1-(1-ethynylcyclohexyl)-, methylcarbamate (ester), monohydrochloride
RN: 60752-91-2
InChIKey: IBFKEWYKXTYFOQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O2.Cl-H

Molecular Weight

  • 272.774
 
* 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

  • 1-(1-Ethynylcyclohexyl)-3-azetidinol methylcarbamate (ester) hydrochloride

Systematic Name

  • 3-Azetidinol, 1-(1-ethynylcyclohexyl)-, methylcarbamate (ester), monohydrochloride

Registry Numbers

CAS Registry Number

  • 60752-91-2

System Generated Number

  • 0060752912

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O2.Cl-H

Molecular Formula Fragments

  • C13-H20-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20N2O2.ClH/c1-3-13(7-5-4-6-8-13)15-9-11(10-15)17-12(16)14-2;/h1,11H,4-10H2,2H3,(H,14,16);1H

InChIKey

IBFKEWYKXTYFOQ-UHFFFAOYSA-N

Smiles

C1([NH+]2CC(OC(NC)=O)C2)(CCCCC1)C#C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 447, 1977.