3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-2-HYDROXY-1-PROPANESULFONATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C32H58N2O8S
Molecular Weight	630.877
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-2-HYDROXY-1-PROPANESULFONATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O

InChI

InChIKey=GUQQBLRVXOUDTN-XOHPMCGNSA-N

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

HIDE SMILES / InChI

Molecular Formula	C32H58N2O8S
Molecular Weight	630.877
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:35:51 GMT 2023` Edited by `admin` on `Sat Dec 16 08:35:51 GMT 2023`
Record UNII	V9N9RGA14M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-2-HYDROXY-1-PROPANESULFONATE

Common Name

English

CHAPSO

Common Name

English

CHAPS HYDROXY ANALOG [MI]

Common Name

English

CHAPS HYDROXY ANALOG

Common Name

English

1-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-3-SULFO-N-(3-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)PROPYL)-, INNER SALT

Systematic Name

English

Code System Code Type Description

PUBCHEM

122145