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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5O7.2C5H14NO.H
Molecular Weight 398.4492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE MONOHYDROGEN CITRATE

SMILES

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

InChI

InChIKey=KGUWSYXISDXUCK-UHFFFAOYSA-L
InChI=1S/C6H8O7.2C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*7H,4-5H2,1-3H3/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C6H5O7
Molecular Weight 189.0997
Charge -3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H14NO
Molecular Weight 104.1708
Charge 1
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 Dec 15 15:50:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:50:02 UTC 2023
Record UNII
J18484727O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE MONOHYDROGEN CITRATE
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1)
Systematic Name English
Code System Code Type Description
CAS
17159-56-7
Created by admin on Fri Dec 15 15:50:02 UTC 2023 , Edited by admin on Fri Dec 15 15:50:02 UTC 2023
PRIMARY
PUBCHEM
72941518
Created by admin on Fri Dec 15 15:50:02 UTC 2023 , Edited by admin on Fri Dec 15 15:50:02 UTC 2023
PRIMARY
FDA UNII
J18484727O
Created by admin on Fri Dec 15 15:50:02 UTC 2023 , Edited by admin on Fri Dec 15 15:50:02 UTC 2023
PRIMARY
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