Difluoroprednisolone 17,21-orthobutyrate

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H34F2O6
Molecular Weight	480.5414
Optical Activity	( + )
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Difluoroprednisolone 17,21-orthobutyrate

Structure Search

SMILES

[H][C@@]12CC[C@@]3(OC(CCC)(OC)OCC3=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])C[C@H](F)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=MCRGVDWCTMBMLK-WJBSIPQNSA-N

InChI=1S/C26H34F2O6/c1-5-8-25(32-4)33-14-21(31)24(34-25)10-7-16-17-12-19(27)18-11-15(29)6-9-22(18,2)26(17,28)20(30)13-23(16,24)3/h6,9,11,16-17,19-20,30H,5,7-8,10,12-14H2,1-4H3/t16-,17-,19-,20-,22-,23-,24-,25?,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H34F2O6
Molecular Weight	480.5414
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:29:30 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:30 GMT 2023`
Record UNII	AEP45ZV3P8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Difluoroprednisolone 17,21-orthobutyrate

Common Name

English

(6α,11β)-6,9-Difluoro-11-hydroxy-17,21-[(1-methoxybutylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Systematic Name

English

Orthobutyric acid, methyl ester, cyclic 17,21-ester with 6α,9-difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-17,21-[(1-methoxybutylidene)bis(oxy)]-, (6α,11β)-

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-, cyclic 17,21-(methyl orthobutyrate)

Systematic Name

English

Code System Code Type Description

FDA UNII

AEP45ZV3P8

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

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PUBCHEM

134990910

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

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CAS

23640-92-8

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

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