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Fluocinolone 16,17-Acetonide

CAS: 67-73-2 | C24H30F2O6

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 67-73-2
Molecular Formula: C24H30F2O6
Molecular Weight: 452.49400000000026 g/mol

Names and Synonyms:

Fluocinolone 16,17-Acetonide
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
(6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
6α,9α-Difluoro-16α,17α-isopropylidenedioxy-Δ1-hydrocortisone
6α,9α-Difluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide
6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17 acetal with acetone
Fluocinolone acetonide
16α,17α-Isopropylidene-6α,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione
Synalar
Fluocinolone 16,17-acetonide
6α-Fluorotriamcinolone acetonide
6α,9α-Difluoro-16α-hydroxyprednisolone 16,17-acetonide
Dermalar
Jellin
Synamol
Synsac
Synandone
Localyn Syntex
Fluovitif
6α,9-Difluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Sinalar
Radiocin
RS 1401AT
Synandrone
Percutina
Prodermin
Dermatin
Synaflan
Dermatin (steroid)
Fluocinolone 16α,17α-acetonide
Fluzon
Synotic
Fluovitef
NSC 92339
Coriphate
Fluonid
Localyn
Synemol
Cortiplastol
Fluvean
Retisert
Sinaflan
Iluvien

Identifiers:

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
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 452.49 g/mol Legacy Database
cas-canonical-smile O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C)C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=FEBLZLNTKCEFIT-VSXGLTOVSA-N None Legacy Database
cas-melting-point 266 °C None Legacy Database
cas-name Fluocinolone 16,17-acetonide None Legacy Database
LogP 2.366800000000001 RDKit

Molecular

Property Value Source
Molecular Weight 452.49400000000026 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 452.2010451199999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 32 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 93.06 Ų RDKit

Molar

Property Value Source
Molar Refractivity 108.87760000000004 RDKit

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