3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIUM)-1-PROPANESULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H58N2O7S
Molecular Weight	614.877
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIUM)-1-PROPANESULFONATE

Structure Search

SMILES

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

InChI

InChIKey=UMCMPZBLKLEWAF-BCTGSCMUSA-N

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

HIDE SMILES / InChI

Molecular Formula	C32H58N2O7S
Molecular Weight	614.877
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:02:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:58 GMT 2025`
Record UNII	QBP25342AG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHAPS

Preferred Name

English

3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIUM)-1-PROPANESULFONATE

Common Name

English

CHAPS [MI]

Common Name

English

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

Systematic Name

English

3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-1-PROPANESULPHONATE

Common Name

English

Code System Code Type Description

SMS_ID

300000052950