CHOLINE DEHYDROCHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H33O5.C5H14NO
Molecular Weight	505.6866
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O

InChI

InChIKey=GJENXZXAFXDOTP-CAOXKPNISA-M

InChI=1S/C24H34O5.C5H14NO/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5-7/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);7H,4-5H2,1-3H3/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H34O5
Molecular Weight	402.5238
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C5H13NO
Molecular Weight	103.1628
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:07:24 GMT 2025` Edited by `admin` on `Mon Mar 31 21:07:24 GMT 2025`
Record UNII	2Z092M53MS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BISCOLAN

Preferred Name

English

CHOLINE DEHYDROCHOLATE

Common Name

English

CHOLINE, SALT WITH 3,7,12-TRIOXO-5.BETA.-CHOLAN-24-OIC ACID (1:1)

Common Name

English

CHOLINE DEHYDROCHOLATE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m646