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Substance Name: Hexadecyltributylammonium taurocholate
RN: 124536-25-0
InChIKey: ATHZSOZTMLMHPH-OZIDYUHGSA-M

Molecular Formula

  • C28-H60-N.C26-H44-N-O7-S

Molecular Weight

  • 925.4886
 
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Names and Synonyms

Name of Substance

  • Hexadecyltributylammonium taurocholate

Synonym

  • HDTAT

Systematic Name

  • 1-Hexadecanaminium, N,N,N-tributyl-, salt with 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 124536-25-0

System Generated Number

  • 0124536250

Molecular Formulas

Molecular Formula

  • C28-H60-N.C26-H44-N-O7-S

Molecular Formula Fragments

  • C26-H44-N-O7-S
  • C28-H60-N
  • COMPONENT

Structure Descriptors

InChI

1S/C28H60N.C26H45NO7S/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h5-28H2,1-4H3;15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/q+1;/p-1/t;15-,16+,17-,18-,19?,20?,21-,22+,24?,25+,26-/m.1/s1

InChIKey

ATHZSOZTMLMHPH-OZIDYUHGSA-M

Smiles

CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C