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Details

Stereochemistry ACHIRAL
Molecular Formula C5H13NO4P.Ba.Cl
Molecular Weight 354.915
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM PHOSPHORYLCHOLINE CHLORIDE

SMILES

[Cl-].[Ba++].C[N+](C)(C)CCOP([O-])([O-])=O

InChI

InChIKey=JWSWNWQQMFJDTM-UHFFFAOYSA-L
InChI=1S/C5H14NO4P.Ba.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2

HIDE SMILES / InChI

Molecular Formula C5H13NO4P
Molecular Weight 182.1348
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ba
Molecular Weight 137.327
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Mon Mar 31 22:28:37 GMT 2025
Edited
by admin
on Mon Mar 31 22:28:37 GMT 2025
Record UNII
C0U750O8IW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHOSPHORYLCHOLINE BARIUM SALT [MI]
Preferred Name English
BARIUM PHOSPHORYLCHOLINE CHLORIDE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-(PHOSPHONOOXY)-, CHLORIDE, BARIUM SALT (1:1:1)
Systematic Name English
PHOSPHORYLCHOLINE, BARIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
C0U750O8IW
Created by admin on Mon Mar 31 22:28:37 GMT 2025 , Edited by admin on Mon Mar 31 22:28:37 GMT 2025
PRIMARY
MERCK INDEX
m8744
Created by admin on Mon Mar 31 22:28:37 GMT 2025 , Edited by admin on Mon Mar 31 22:28:37 GMT 2025
PRIMARY Merck Index
PUBCHEM
76959011
Created by admin on Mon Mar 31 22:28:37 GMT 2025 , Edited by admin on Mon Mar 31 22:28:37 GMT 2025
PRIMARY
CAS
6484-71-5
Created by admin on Mon Mar 31 22:28:37 GMT 2025 , Edited by admin on Mon Mar 31 22:28:37 GMT 2025
PRIMARY