Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Sedocalaine
RN: 79084-79-0
InChIKey: QHFBYDWPUPANPO-UHFFFAOYSA-L

Note

  • Contains hydroxyzine & calcium 2-ethylbutyrate.

Molecular Formula

  • C21-H27-Cl-N2-O2.C6-H11-O2.Ca

Molecular Weight

  • 645.289
 
* 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

Name of Substance

  • Sedocalaine

Systematic Name

  • Butanoic acid, 2-ethyl-, calcium salt, mixt. with 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethanol

Registry Numbers

CAS Registry Number

  • 79084-79-0

System Generated Number

  • 0079084790

Molecular Formulas

Molecular Formula

  • C21-H27-Cl-N2-O2.C6-H11-O2.Ca

Molecular Formula Fragments

  • C21-H27-Cl-N2-O2
  • C6-H11-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27ClN2O2.2C6H12O2.Ca/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;2*1-3-5(4-2)6(7)8;/h1-9,21,25H,10-17H2;2*5H,3-4H2,1-2H3,(H,7,8);/q;;;+2/p-2

InChIKey

QHFBYDWPUPANPO-UHFFFAOYSA-L

Smiles

C(O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(cc1)Cl.[Ca+2].C(C(CC)CC)(=O)[O-].C(C(CC)CC)(=O)[O-]