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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27Cl2FO5
Molecular Weight 485.373
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-DICHLORO-6-FLUORO-21-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4,6-TRIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C=C(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI

InChIKey=BMQLRFNMSMQKOY-ZNWREMJPSA-N
InChI=1S/C24H27Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-8,13-14,17,19,28H,9-11H2,1-4H3/t13-,14-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27Cl2FO5
Molecular Weight 485.373
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:00:52 GMT 2025
Edited
by admin
on Mon Mar 31 18:00:52 GMT 2025
Record UNII
229C5PZ5AX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-16.ALPHA.,17.ALPHA.-ISOPROPYLIDENEDIOXYPREGNA-1,4,6-TRIEN-21-OL-3,20-DIONE
Preferred Name English
9,11-DICHLORO-6-FLUORO-21-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4,6-TRIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGNA-1,4,6-TRIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-6-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
PREGNA-1,4,6-TRIENE-3,20-DIONE, 9,11-DICHLORO-6-FLUORO-21-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
229C5PZ5AX
Created by admin on Mon Mar 31 18:00:52 GMT 2025 , Edited by admin on Mon Mar 31 18:00:52 GMT 2025
PRIMARY
CAS
33805-93-5
Created by admin on Mon Mar 31 18:00:52 GMT 2025 , Edited by admin on Mon Mar 31 18:00:52 GMT 2025
PRIMARY
PUBCHEM
91810515
Created by admin on Mon Mar 31 18:00:52 GMT 2025 , Edited by admin on Mon Mar 31 18:00:52 GMT 2025
PRIMARY