Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride
RN: 95004-22-1
InChIKey: XOAVVMDWAJSGJI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C21-H29-N-O3.Cl-H

Molecular Weight

  • 379.925
 
* 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

Synonyms

  • p-(2-Cyclohexen-1-yloxy)benzoic acid 3-(2-methyl-1-pyrrolidinyl)propyl ester
  • U-1804

Systematic Name

  • Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 95004-22-1

System Generated Number

  • 0095004221

Molecular Formulas

Molecular Formula

  • C21-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO3.ClH/c1-17-7-5-14-22(17)15-6-16-24-21(23)18-10-12-20(13-11-18)25-19-8-3-2-4-9-19;/h3,8,10-13,17,19H,2,4-7,9,14-16H2,1H3;1H

InChIKey

XOAVVMDWAJSGJI-UHFFFAOYSA-N

Smiles

c1(O[C@@H]2CCCC=C2)ccc(C(OCCC[N@@H+]2[C@@H](CCC2)C)=O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.