Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl)methyl ester, citrate
RN: 69815-36-7
InChIKey: GHMPIZOAARYDHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3.C6-H8-O7

Molecular Weight

  • 559.608
 
* 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

  • 2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-3-pyrrolidinyl)methyl ester citrate

Systematic Name

  • Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl)methyl ester, citrate

Registry Numbers

CAS Registry Number

  • 69815-36-7

System Generated Number

  • 0069815367

Molecular Formulas

Molecular Formula

  • C23-H29-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C23-H29-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.C6H8O7/c1-3-24-16-15-19(17-24)18-26-22(25)23(27-4-2,20-11-7-5-8-12-20)21-13-9-6-10-14-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-14,19H,3-4,15-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

GHMPIZOAARYDHB-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OC[C@@H]1C[N@@H+](CC)CC1)=O)OCC.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 571, 1965.