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Substance Name: CHAPS
RN: 75621-03-3
UNII: QBP25342AG
InChIKey: UMCMPZBLKLEWAF-BCTGSCMUSA-N

Note

  • A surfactant.

Classification Codes

  • Detergents
  • Surface-Active Agents

Molecular Formula

  • C32-H58-N2-O7-S

Molecular Weight

  • 614.883
 
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Names and Synonyms

Name of Substance

  • 3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate
  • CHAPS

Synonyms

  • 1-Propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-,hydroxide, inner salt
  • 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
  • CHAPS
  • Cholic acid sulfobetaine1-propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-, hydroxide, inner salt
  • UNII-QBP25342AG

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 75621-03-3

FDA UNII

  • QBP25342AG

System Generated Number

  • 0075621033

Structure Descriptors

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

UMCMPZBLKLEWAF-BCTGSCMUSA-N

Smiles

C1[C@H](C[C@@H]2[C@@]([C@H]3C[C@@H]([C@@]4([C@H]([C@@H]3[C@@H](O)C2)CC[C@@H]4[C@H](C)CCC(NCCC[N+](CCCS([O-])(=O)=O)(C)C)=O)C)O)(C)C1)O