21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione, (6?,11?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26F2O5
Molecular Weight	420.4463
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione, (6?,11?)-

Structure Search

SMILES

CC(=O)OCC(=O)C1=CC[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

InChI

InChIKey=YXASFOVLXBFEEU-LKVAYOKUSA-N

InChI=1S/C23H26F2O5/c1-12(26)30-11-19(28)15-5-4-14-16-9-18(24)17-8-13(27)6-7-22(17,3)23(16,25)20(29)10-21(14,15)2/h5-8,14,16,18,20,29H,4,9-11H2,1-3H3/t14-,16-,18-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H26F2O5
Molecular Weight	420.4463
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:42 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:42 GMT 2025`
Record UNII	B3QNX9A6DQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Difluprednate Impurity 16

Preferred Name

English

21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione, (6?,11?)-

Systematic Name

English

Pregna-1,4,16-triene-3,20-dione, 6?,9-difluoro-11?,21-dihydroxy-, 21-acetate

Systematic Name

English

(6?,11?)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

Systematic Name

English

Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11-hydroxy-, (6?,11?)-

Systematic Name

English

2-((6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

102243

Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025

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EPA CompTox

DTXSID10945953

Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025

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CAS

2326-26-3

Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025

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FDA UNII

B3QNX9A6DQ

Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025

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