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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H58F4O10S2
Molecular Weight 935.092
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROMETHYL FLUTICASONE PROPIONATE DISULFIDE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SSC(=O)[C@@]3(OC(=O)CC)[C@H](C)C[C@@]4([H])[C@]5([H])C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]34C)[C@@]1(C)C[C@H](O)[C@@]7(F)[C@@]2([H])C[C@H](F)C8=CC(=O)C=C[C@]78C

InChI

InChIKey=OQDFECAXWAAOEZ-RUXGNHTFSA-N
InChI=1S/C48H58F4O10S2/c1-9-37(57)61-47(23(3)15-27-29-19-33(49)31-17-25(53)11-13-41(31,5)45(29,51)35(55)21-43(27,47)7)39(59)63-64-40(60)48(62-38(58)10-2)24(4)16-28-30-20-34(50)32-18-26(54)12-14-42(32,6)46(30,52)36(56)22-44(28,48)8/h11-14,17-18,23-24,27-30,33-36,55-56H,9-10,15-16,19-22H2,1-8H3/t23-,24-,27+,28+,29+,30+,33+,34+,35+,36+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H58F4O10S2
Molecular Weight 935.092
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:05:16 GMT 2023
Edited
by admin
on Sat Dec 16 05:05:16 GMT 2023
Record UNII
718MRE2B9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROMETHYL FLUTICASONE PROPIONATE DISULFIDE
Common Name English
ANDROSTA-1,4-DIEN-3-ONE, 17,17'-(DITHIODICARBONYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-(6'.ALPHA.,11'.BETA.,16'.ALPHA.,17'.ALPHA.)-
Systematic Name English
FLUTICASONE PROPIONATE IMPURITY H [EP IMPURITY]
Common Name English
17,17'-(DISULFANEDIYLDICARBONYL)BIS(6.ALPHA.,9-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIEN-17.ALPHA.-YL) DIPROPANOATE
Systematic Name English
(6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-(6'.ALPHA.,11'.BETA.,16'.ALPHA.,17'.ALPHA.)-17,17'-(DITHIODICARBONYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIEN-3-ONE)
Systematic Name English
Code System Code Type Description
CAS
201812-64-8
Created by admin on Sat Dec 16 05:05:16 GMT 2023 , Edited by admin on Sat Dec 16 05:05:16 GMT 2023
PRIMARY
PUBCHEM
76971752
Created by admin on Sat Dec 16 05:05:16 GMT 2023 , Edited by admin on Sat Dec 16 05:05:16 GMT 2023
PRIMARY
FDA UNII
718MRE2B9T
Created by admin on Sat Dec 16 05:05:16 GMT 2023 , Edited by admin on Sat Dec 16 05:05:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP