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Details

Stereochemistry ACHIRAL
Molecular Formula C5H14NO.H2O4P
Molecular Weight 201.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE DIHYDROGEN PHOSPHATE

SMILES

OP(O)([O-])=O.C[N+](C)(C)CCO

InChI

InChIKey=LPPJNZJBKFSQGA-UHFFFAOYSA-M
InChI=1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula H2O4P
Molecular Weight 96.9872
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 RACEMIC
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 19:47:34 UTC 2023
Edited
by admin
on Fri Dec 15 19:47:34 UTC 2023
Record UNII
D53S359B6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE DIHYDROGEN PHOSPHATE
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1) (SALT)
Systematic Name English
CHOLINE PHOSPHATE
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
CHEBI
18132
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
PUBCHEM
150067
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
CAS
83846-92-8
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
FDA UNII
D53S359B6B
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID00232748
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
281-072-2
Created by admin on Fri Dec 15 19:47:34 UTC 2023 , Edited by admin on Fri Dec 15 19:47:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE