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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H7O7.C5H12NO2
Molecular Weight 309.2699
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE CITRATE

SMILES

C[N+](C)(C)CC(O)=O.OC(=O)CC(O)(CC(O)=O)C([O-])=O

InChI

InChIKey=YKXUOESQDCXGIW-UHFFFAOYSA-N
InChI=1S/C6H8O7.C5H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C5H11NO2
Molecular Weight 117.1463
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:34:34 GMT 2025
Edited
by admin
on Mon Mar 31 17:34:34 GMT 2025
Record UNII
19JX795NXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAINE CITRATE
WHO-DD  
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM
Preferred Name English
(CARBOXYMETHYL)TRIMETHYLAMMONIUM DIHYDROGEN CITRATE
Systematic Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
BETAINE CHOLINE CITRATE
Common Name English
Betaine citrate [WHO-DD]
Common Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, SALT WITH 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
83838
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
SMS_ID
100000089318
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
FDA UNII
19JX795NXV
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-648-6
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
DRUG BANK
DBSALT002227
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
CAS
17671-50-0
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
EVMPD
SUB13057MIG
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
MESH
C018229
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY
RXCUI
160460
Created by admin on Mon Mar 31 17:34:34 GMT 2025 , Edited by admin on Mon Mar 31 17:34:34 GMT 2025
PRIMARY RxNorm
Related Record Type Details
Structure of Anhydrous citric acid
PARENT -> SALT/SOLVATE
Structure of BETAINE
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966