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Clobetasol Propionate
CAS: 25122-46-7 | C25H32ClFO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25122-46-7
Molecular Formula:
C25H32ClFO5
Molecular Mass:
466.98 g/mol
Names and Synonyms:
Clobetasol Propionate
Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-
Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11β,17-dihydroxy-16β-methyl-, 17-propionate
(11β,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
21-Chloro-21-deoxybetamethasone 17-propionate
Dermovate
Clobetasol propionate
Clobetasol 17-propionate
CGP 9555
Clobesol
Temovate
Clobederm
GR 2/925
Dermoxin
Dermoxinale
Dermoval
CCl 4725
Karison
Clobex
Olux
Skin Cap
Olux-E
Tenovate
Identifiers:
SMILES:
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
Key Properties
Melting Point
195.5-197 °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 | 466.98 g/mol | CAS Common Chemistry |
| 466.97700000000026 g/mol | RDKit | |
| 466.19223002399997 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CBGUOGMQLZIXBE-XGQKBEPLSA-N | CAS Common Chemistry |
| Melting Point | 195.5-197 °C | CAS Common Chemistry |
| Name | Clobetasol propionate | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.67 Ų | RDKit |
| LogP | 4.103100000000003 | RDKit |
| Molar Refractivity | 117.74280000000006 | RDKit |
