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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C10H23N2O2S.C4H4O6
Molecular Weight 618.805
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE METHIONINE TARTRATE

SMILES

O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.CSCC[C@H](N)C(=O)OCC[N+](C)(C)C.CSCC[C@H](N)C(=O)OCC[N+](C)(C)C

InChI

InChIKey=XUHFKERTZBJPNU-OEEQJOOYSA-L
InChI=1S/2C10H23N2O2S.C4H6O6/c2*1-12(2,3)6-7-14-10(13)9(11)5-8-15-4;5-1(3(7)8)2(6)4(9)10/h2*9H,5-8,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2/t2*9-;1-,2-/m001/s1

HIDE SMILES / InChI

Molecular Formula C4H4O6
Molecular Weight 148.071
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C10H23N2O2S
Molecular Weight 235.367
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:31:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:16 UTC 2023
Record UNII
3XBN9578VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE METHIONINE TARTRATE
Common Name English
L-METHIONINE, 2-(TRIMETHYLAMMONIO)ETHYL ESTER, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (2:1)
Systematic Name English
BUTANEDIOIC ACID, 2,3-DIHYDROXY- (2R,3R)-, ION(2-), SALT WITH L-METHIONINE 2-(TRIMETHYLAMMONIO)ETHYL ESTER (1:2)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
215-612-5
Created by admin on Fri Dec 15 15:31:16 UTC 2023 , Edited by admin on Fri Dec 15 15:31:16 UTC 2023
PRIMARY
PUBCHEM
90479515
Created by admin on Fri Dec 15 15:31:16 UTC 2023 , Edited by admin on Fri Dec 15 15:31:16 UTC 2023
PRIMARY
FDA UNII
3XBN9578VM
Created by admin on Fri Dec 15 15:31:16 UTC 2023 , Edited by admin on Fri Dec 15 15:31:16 UTC 2023
PRIMARY
CAS
1334-17-4
Created by admin on Fri Dec 15 15:31:16 UTC 2023 , Edited by admin on Fri Dec 15 15:31:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE