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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25O8P.2Na
Molecular Weight 482.3717
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Disodium Prednisone Phosphate

SMILES

[Na+].[Na+].[H][C@@]12CC[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=JOGWEWVSRLYXFJ-PWEPTXNASA-L
InChI=1S/C21H27O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-15,18,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,18+,19-,20-,21-;;/m0../s1

HIDE SMILES / InChI

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 C21H25O8P
Molecular Weight 436.3922
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:28:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:51 GMT 2023
Record UNII
TXH7U69X7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Disodium Prednisone Phosphate
Common Name English
Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt
Common Name English
17-Hydroxy-21-(phosphonooxy)pregna-1,4-diene-3,11,20-trione disodium salt
Common Name English
Disodium,[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]phosphate
Systematic Name English
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-(dihydrogen phosphate), disodium salt
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
251-730-3
Created by admin on Sat Dec 16 12:28:51 GMT 2023 , Edited by admin on Sat Dec 16 12:28:51 GMT 2023
PRIMARY
FDA UNII
TXH7U69X7R
Created by admin on Sat Dec 16 12:28:51 GMT 2023 , Edited by admin on Sat Dec 16 12:28:51 GMT 2023
PRIMARY
PUBCHEM
56842477
Created by admin on Sat Dec 16 12:28:51 GMT 2023 , Edited by admin on Sat Dec 16 12:28:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID60187528
Created by admin on Sat Dec 16 12:28:51 GMT 2023 , Edited by admin on Sat Dec 16 12:28:51 GMT 2023
PRIMARY
CAS
33903-70-7
Created by admin on Sat Dec 16 12:28:51 GMT 2023 , Edited by admin on Sat Dec 16 12:28:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE