Disodium Prednisone Phosphate

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

Structure Search

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

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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