U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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
Created by admin on Sat Dec 16 05:49:09 GMT 2023 , Edited by admin on Sat Dec 16 05:49:09 GMT 2023
PRIMARY
FDA UNII
4FAV8MZ1BT
Created by admin on Sat Dec 16 05:49:09 GMT 2023 , Edited by admin on Sat Dec 16 05:49:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-996-2
Created by admin on Sat Dec 16 05:49:09 GMT 2023 , Edited by admin on Sat Dec 16 05:49:09 GMT 2023
PRIMARY
PUBCHEM
76958313
Created by admin on Sat Dec 16 05:49:09 GMT 2023 , Edited by admin on Sat Dec 16 05:49:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID60240460
Created by admin on Sat Dec 16 05:49:09 GMT 2023 , Edited by admin on Sat Dec 16 05:49:09 GMT 2023
PRIMARY