DISODIUM ISOFLUPREDONE 21-PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26FO8P.2Na
Molecular Weight	502.378
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM ISOFLUPREDONE 21-PHOSPHATE

Structure Search

SMILES

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

InChI

InChIKey=RJCHGSGXNBHMRH-VJVYSMTMSA-L

InChI=1S/C21H28FO8P.2Na/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(26,17(25)11-30-31(27,28)29)19(14,2)10-16(24)21(15,18)22;;/h5,7,9,14-16,24,26H,3-4,6,8,10-11H2,1-2H3,(H2,27,28,29);;/q;2*+1/p-2/t14-,15-,16-,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	C21H26FO8P
Molecular Weight	456.3985
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:49:09 GMT 2023` Edited by `admin` on `Sat Dec 16 05:49:09 GMT 2023`
Record UNII	4FAV8MZ1BT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DISODIUM ISOFLUPREDONE 21-PHOSPHATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,17-DIHYDROXY-21-(PHOSPHONOOXY)-, DISODIUM SALT, (11.BETA.)-

Common Name

English

Code System Code Type Description

CAS

94088-00-3