General Information of the Compound
Compound ID
CP0667221
Compound Name
SID855535
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Synonyms
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
4b,12-Difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
6-alpha,9-alpha-Difluoro-16-alpha-hydroxyprednisolone 16,17-acetonide
6.Alpha., 9.alpha.-Difluoro-16.alpha.-h
6.Alpha.,9-Difluoro
6.alpha.,9-Difluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone
6.alpha.,9.alpha.-Difluoro-16.alpha.-hydroxyprednisolone 16,17-acetonide
6.alpha.-Fluorotriamcinolone acetonide
6a,9a-difluoro-16a-hydroxyprednisolone 16,17-acetonide
6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone
6alpha,9alpha-Difluoro-11beta,16alpha,17alpha,21-tetrahydroxy-1,4-pregnadiene-3,20-dione
6alpha,9alpha-Difluoro-11beta,16alpha,17alpha,21-tetrahydroxy-1,4-pregnadiene-3,20-dione 16,17-Acetonide
6alpha,9alpha-Difluoro-16alpha-hydroxyprednisolone 16,17-acetonide
6alpha-Fluorotriamcinolone acetonide
Acetonida de fluocinolona [INN-Spanish]
Acetonide de fluocinolone
Acetonide de fluocinolone [INN-French]
Component of Neo-Synalar
Coriphate
Cortiplastol
Derma-smoothe/fs
Dermalar
Dermatin (steroid)
F0657
Flucinar
Flucinolone
Flucort
Flucort-N (TN)
Fluocet
Fluocet (TN)
Fluocinolonacetonidum
Fluocinolone 16,17-acetonide
Fluocinolone Acetonide
Fluocinolone acetonide (JP15/USP/INN)
Fluocinolone acetonide [DCIT]
Fluocinolone acetonide [USAN:INN:JAN]
Fluocinoloni acetonidum
Fluocinoloni acetonidum [INN-Latin]
Fluonid
Fluortriamcinolone Acetonide
Fluotrex
Fluovitif
Flupollon
Fs Shampoo
Jellin
Localyn
Localyn Syntex
Medidur
Neo-Synalar
Omniderm
Percutina
Pregna-1,4-diene-3,20-dione, 6.alpha.,9-difluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone (8CI)
Prodermin
RS 1401AT
RS-1401 AT
Radiocin
Retisert
Retisert (TN)
Sinalar
Synalar
Synalar (TN)
Synalar-HP
Synamol
Synandone
Synandrone
Synemol
Synotic
Synsac
Tefunote;Acetonida de fluocinolona
Ydroxyprednisolone 16,17-acetonide
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Structure
Formula
C24H30F2O6
Molecular Weight
452.494
Canonical SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
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InChI
InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
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InChIKey
FEBLZLNTKCEFIT-VSXGLTOVSA-N
CAS
67-73-2
Physicochemical Property
logP
2.3668
Rotatable Bonds
2
Heavy Atom Count
32
Polar Areas
93.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6215
SID: 14931123
ChEMBL ID
CHEMBL989
DrugBank ID
DB00591
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 3.131 nM
   TI
   LI
   LO
   TS
2
Ki = 1.423 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Fluocinolone Acetonide )
Drug Name Fluocinolone Acetonide
Indication
Inflammation
Approved
Target(s)
Glucocorticoid receptor (NR3C1)
Modulator