Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Doxidan
RN: 76404-07-4
InChIKey: MRQFXNIXXIGSPI-UHFFFAOYSA-L

Molecular Formula

  • C20-H38-O7-S.C4-H8-O4.1/2Ca

Molecular Weight

  • 1123.4338
 
* 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

  • Doxidan

Systematic Name

  • Butanedioic acid, sulfo-, 1,4-dioctyl ester, calcium salt, mixt. with 1,8-dihydroxy-9,10-anthracenedione

Registry Numbers

CAS Registry Number

  • 76404-07-4

System Generated Number

  • 0076404074

Molecular Formulas

Molecular Formula

  • C20-H38-O7-S.C4-H8-O4.1/2Ca

Molecular Formula Fragments

  • C20-H38-O7-S
  • C4-H8-O4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H38O7S.C14H8O4.Ca/c2*1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16;/h2*18H,3-17H2,1-2H3,(H,23,24,25);1-6,15-16H;/q;;;+2/p-2

InChIKey

MRQFXNIXXIGSPI-UHFFFAOYSA-L

Smiles

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O.[Ca+2]