3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate

CAS Registry Number®

82473-24-3

CAS Name

3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate

Molecular Formula

C32H58N2O8S

Cite this Page

3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82473-24-3 (retrieved 2024-11-25) (CAS RN: 82473-24-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

InChIKey

InChIKey=GUQQBLRVXOUDTN-XOHPMCGNSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-[3-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]-, inner salt
  • Cholane, 1-propanaminium deriv.
  • CHAPSO
  • 3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate

Deleted or Replaced CAS Registry Numbers

120893-60-9, 1268853-50-4

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