Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Trioctylmethylammonium cholate
RN: 124536-24-9
InChIKey: BTSSEYZKDFVGFN-QSPPONFGSA-M

Molecular Formula

  • C24-H39-O5.C25-H54-N

Molecular Weight

  • 776.276
 
* 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

  • Trioctylmethylammonium cholate

Synonym

  • Mea cholate

Systematic Name

  • Cholan-24-oic acid, 3,7,12-trihydroxy-, ion(1-), (3alpha,5beta,7alpha,12alpha)-, N-methyl-N,N-dioctyl-1-octanaminium

Registry Numbers

CAS Registry Number

  • 124536-24-9

System Generated Number

  • 0124536249

Molecular Formulas

Molecular Formula

  • C24-H39-O5.C25-H54-N

Molecular Formula Fragments

  • C24-H39-O5
  • C25-H54-N
  • COMPONENT

Structure Descriptors

InChI

1S/C25H54N.C24H40O5/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h5-25H2,1-4H3;13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/q+1;/p-1/t;13-,14+,15-,16+,17?,18?,19-,20+,22?,23+,24-/m.1/s1

InChIKey

BTSSEYZKDFVGFN-QSPPONFGSA-M

Smiles

[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)C.C1C[C@@H](O)C[C@H]2C[C@@H](O)[C@@H]3[C@@H]4CC[C@H]([C@@H](CCC(=O)[O-])C)[C@@]4(C)[C@@H](O)C[C@@H]3[C@@]12C