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Details

Stereochemistry ACHIRAL
Molecular Formula C6H7O7.C5H12NO2
Molecular Weight 309.2699
Optical Activity NONE
Defined Stereocenters 0 / 0
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 / 0
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

Substance Class Chemical
Created
by admin
on Wed Jul 05 22:31:59 UTC 2023
Edited
by admin
on Wed Jul 05 22:31:59 UTC 2023
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 CHOLINE CITRATE
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM
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 Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
SMS_ID
100000089318
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
FDA UNII
19JX795NXV
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
241-648-6
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
DRUG BANK
DBSALT002227
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
CAS
17671-50-0
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
EVMPD
SUB13057MIG
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
MESH
C018229
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY
RXCUI
160460
Created by admin on Wed Jul 05 22:31:59 UTC 2023 , Edited by admin on Wed Jul 05 22:31:59 UTC 2023
PRIMARY RxNorm
Related Record Type Details
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PARENT -> SALT/SOLVATE