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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H34F2O7
Molecular Weight 508.5515
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-ACETATE 17-PROPIONATE DIFLORASONE

SMILES

CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(C)=O

InChI

InChIKey=UKCHRSCXKHZQKJ-TUICGVJESA-N
InChI=1S/C27H34F2O7/c1-6-23(34)36-27(22(33)13-35-15(3)30)14(2)9-17-18-11-20(28)19-10-16(31)7-8-24(19,4)26(18,29)21(32)12-25(17,27)5/h7-8,10,14,17-18,20-21,32H,6,9,11-13H2,1-5H3/t14-,17-,18-,20-,21-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H34F2O7
Molecular Weight 508.5515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:57:20 GMT 2025
Edited
by admin
on Mon Mar 31 22:57:20 GMT 2025
Record UNII
U962JX023W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-ACETATE 17-PROPIONATE DIFLORASONE
Common Name English
6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE 17-PROPIONATE
Preferred Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.BETA.)-
Common Name English
HALOBETASOL PROPIONATE IMPURITY, 21-ACETATE 17-PROPIONATE DIFLORASONE- [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
79861-38-4
Created by admin on Mon Mar 31 22:57:20 GMT 2025 , Edited by admin on Mon Mar 31 22:57:20 GMT 2025
PRIMARY
FDA UNII
U962JX023W
Created by admin on Mon Mar 31 22:57:20 GMT 2025 , Edited by admin on Mon Mar 31 22:57:20 GMT 2025
PRIMARY
PUBCHEM
71587293
Created by admin on Mon Mar 31 22:57:20 GMT 2025 , Edited by admin on Mon Mar 31 22:57:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY