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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31ClF2O5
Molecular Weight 484.96
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-PROPIONATE 21- CHLORO DIFLORASONE

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](OC(=O)CC)[C@@]3(F)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=GFVRBARAKYZKQQ-BZMPXQBFSA-N
InChI=1S/C25H31ClF2O5/c1-5-21(31)33-20-11-23(4)15(8-13(2)25(23,32)19(30)12-26)16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,20)28/h6-7,9,13,15-16,18,20,32H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,20-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11-PROPIONATE 21- CHLORO DIFLORASONE
Common Name English
21-CHLORO-6.ALPHA.,9-DIFLUORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 11-PROPIONATE
Common Name English
HALOBETASOL PROPIONATE IMPURITY, 11-PROPIONATE 21- CHLORO DIFLORASONE- [USP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-6,9-DIFLUORO-17-HYDROXY-16-METHYL-11-(1-OXOPROPOXY)-, (11.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71587593
Created by admin on Sat Dec 16 09:59:38 GMT 2023 , Edited by admin on Sat Dec 16 09:59:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID80171161
Created by admin on Sat Dec 16 09:59:38 GMT 2023 , Edited by admin on Sat Dec 16 09:59:38 GMT 2023
PRIMARY
CAS
181527-42-4
Created by admin on Sat Dec 16 09:59:38 GMT 2023 , Edited by admin on Sat Dec 16 09:59:38 GMT 2023
PRIMARY
FDA UNII
37T2132Q01
Created by admin on Sat Dec 16 09:59:38 GMT 2023 , Edited by admin on Sat Dec 16 09:59:38 GMT 2023
PRIMARY