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

CAS Registry Number®

75621-03-3

CAS Name

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

Molecular Formula

C32H58N2O7S

Cite this Page

3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75621-03-3 (retrieved 2024-11-21) (CAS RN: 75621-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

InChIKey

InChIKey=UMCMPZBLKLEWAF-BCTGSCMUSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCCC[N+](CCCS(=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)CCCS(=O)(=O)[O-])CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • 1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, inner salt
  • Cholane, 1-propanaminium deriv.
  • CHAPS
  • 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulphonate

Deleted or Replaced CAS Registry Numbers

1259364-10-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration