U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11O7.C5H14NO
Molecular Weight 299.3181
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE GLUCONATE

SMILES

C[N+](C)(C)CCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O

InChI

InChIKey=UJWRGESBUBDIIB-JJKGCWMISA-M
InChI=1S/C6H12O7.C5H14NO/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5-7/h2-5,7-11H,1H2,(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1/t2-,3-,4+,5-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C6H12O7
Molecular Weight 196.1553
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
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 / 0
E/Z Centers 0
Optical Activity NONE

CHOLINE GLUCONATE is a salt of choline which used therapeutically for patients with liver cirrhosis that has not advanced to the irreversible fibrous stage. It may be a potential irritant.

Approval Year

Sourcing
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:17:52 UTC 2023
Edited
by admin
on Fri Dec 15 15:17:52 UTC 2023
Record UNII
2M607MGJ8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE GLUCONATE
INN  
INN  
Official Name English
CHOLINE D-GLUCONATE
Common Name English
(2-HYDROXYETHYL)TRIMETHYLAMMONIUM D-GLUCONATE
Common Name English
choline gluconate [INN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C166581
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
SMS_ID
100000081897
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID90964940
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
EVMPD
SUB06218MIG
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
CAS
507-30-2
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
PUBCHEM
20055440
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
FDA UNII
2M607MGJ8U
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
INN
1322
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104182
Created by admin on Fri Dec 15 15:17:52 UTC 2023 , Edited by admin on Fri Dec 15 15:17:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE