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Details

Stereochemistry ACHIRAL
Molecular Formula C6H7O7.C5H11NO2
Molecular Weight 308.2624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of BETAINE CITRATE

SMILES

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

InChI

InChIKey=YKXUOESQDCXGIW-UHFFFAOYSA-M
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/p-1

HIDE SMILES / InChI

Molecular Formula C5H11NO2
Molecular Weight 117.1465
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H8O7
Molecular Weight 192.1238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:26:38 UTC 2021
Edited
by admin
on Fri Jun 25 23:26:38 UTC 2021
Record UNII
19JX795NXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAINE CITRATE
WHO-DD  
Common 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 CITRATE [WHO-DD]
Common Name English
BETAINE CHOLINE CITRATE
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM
Common Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, SALT WITH 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
76966110
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
FDA UNII
19JX795NXV
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
ECHA (EC/EINECS)
241-648-6
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
DRUG BANK
DBSALT002227
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
CAS
17671-50-0
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
EVMPD
SUB13057MIG
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
MESH
C018229
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY
RXCUI
160460
Created by admin on Fri Jun 25 23:26:38 UTC 2021 , Edited by admin on Fri Jun 25 23:26:38 UTC 2021
PRIMARY RxNorm
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE