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Substance Name: 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane
RN: 106679-03-2
InChIKey: ZQDSFVARABYERY-HJSAWXBPSA-N

Molecular Formula

  • C32-H58-N2-O6-S

Molecular Weight

  • 598.884
 
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Names and Synonyms

Name of Substance

  • 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane

Synonyms

  • 3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-1-propanaminium hydroxide, inner salt
  • Dchaps
  • Dchaps sulfonate

Systematic Name

  • 1-Propanaminium, 3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 106679-03-2

System Generated Number

  • 0106679032

Structure Descriptors

InChI

1S/C32H58N2O6S/c1-22(11-14-29(37)33-16-8-17-34(4,5)18-9-19-41(38,39)40)24-12-13-25-30-26(21-28(36)32(24,25)3)31(2)15-7-6-10-23(31)20-27(30)35/h22-28,30,35-36H,6-21H2,1-5H3,(H-,33,37,38,39,40)/t22-,23+,24+,25?,26?,27-,28+,30?,31+,32-/m1/s1

InChIKey

ZQDSFVARABYERY-HJSAWXBPSA-N

Smiles

C(CCNC(CC[C@H]([C@@H]1CC[C@@H]2[C@@H]3[C@@H](C[C@@H]4CCCC[C@@]4([C@@H]3C[C@@H]([C@@]12C)O)C)O)C)=O)[N+](CCCS(=O)(=O)[O-])(C)C