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Fluorometholone
CAS: 426-13-1 | C22H29FO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
426-13-1
Molecular Formula:
C22H29FO4
Molecular Mass:
376.47 g/mol
Names and Synonyms:
Fluorometholone
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6α,11β)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-6α-methyl-
(6α,11β)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
U 8614
21-Desoxy-9α-fluoro-6-methylprednisolone
9α-Fluoro-11β,17α-dihydroxy-6α-methylpregna-1,4-diene-3,20-dione
Fluorometholone
6α-Methyl-9α-fluoro-21-desoxyprednisolone
6α-Methyl-9α-fluoro-11β,17α-dihydroxypregna-1,4-diene-3,20-dione
Oxylone
Cortilet
Delmeson
NSC-33001
Flumetholone
FML
Fluormetholon
FML SOP
Fluaton
FML Forte
Loticort
FML Liquifilm
Fluor-Op
Efflumidex
Flumetholon
Ursnon
Fluaton PVA
Identifiers:
SMILES:
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
Key Properties
Melting Point
297 °C
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.47 g/mol | CAS Common Chemistry |
| 376.46800000000013 g/mol | RDKit | |
| 376.20498762799997 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)C)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FAOZLTXFLGPHNG-KNAQIMQKSA-N | CAS Common Chemistry |
| Melting Point | 297 °C | CAS Common Chemistry |
| Name | Fluorometholone | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 2.923300000000001 | RDKit |
| Molar Refractivity | 98.53260000000003 | RDKit |
