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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8N3O5P.2Na.4H2O
Molecular Weight 327.1378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHOSPHOCREATINE DISODIUM TETRAHYDRATE

SMILES

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

InChI

InChIKey=HUWYWJSJJDCZRQ-UHFFFAOYSA-L
InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2

HIDE SMILES / InChI

Molecular Formula C4H8N3O5P
Molecular Weight 209.0972
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 Sat Dec 16 08:17:46 UTC 2023
Edited
by admin
on Sat Dec 16 08:17:46 UTC 2023
Record UNII
C05FJ8ZUCS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHOSPHOCREATINE DISODIUM TETRAHYDRATE
Systematic Name English
GLYCINE, N-(IMINO(PHOSPHONOAMINO)METHYL)-N-METHYL-, DISODIUM SALT, TETRAHYDRATE
Systematic Name English
PHOSPHOCREATINE SODIUM SALT TETRAHYDRATE
Common Name English
GLYCINE, N-(IMINO(PHOSPHONOAMINO)METHYL)-N-METHYL-, SODIUM SALT, HYDRATE (1:2:4)
Systematic Name English
Code System Code Type Description
PUBCHEM
24802058
Created by admin on Sat Dec 16 08:17:46 UTC 2023 , Edited by admin on Sat Dec 16 08:17:46 UTC 2023
PRIMARY
FDA UNII
C05FJ8ZUCS
Created by admin on Sat Dec 16 08:17:46 UTC 2023 , Edited by admin on Sat Dec 16 08:17:46 UTC 2023
PRIMARY
CAS
71519-72-7
Created by admin on Sat Dec 16 08:17:46 UTC 2023 , Edited by admin on Sat Dec 16 08:17:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY