3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate
CAS Registry Number®
82473-24-3
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CAS Name
3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonateMolecular Formula
C32H58N2O8SCite 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/ChemicalDetail.aspx?ref=82473-24-3 (retrieved ) (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
