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Triamcinolone
CAS: 124-94-7 | C21H27FO6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
124-94-7
Molecular Formula:
C21H27FO6
Molecular Mass:
394.44 g/mol
Names and Synonyms:
Triamcinolone
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11β,16α)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-
(11β,16α)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Aristocort
9α-Fluoro-16α-hydroxyprednisolone
9α-Fluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione
9α-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Fluoxyprednisolone
Rodinolone
11β,16α,17α,21-Tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione
11β,16α,17α,21-Tetrahydroxy-9α-fluoro-Δ1,4-pregnadiene-3,20-dione
Triamcinolone
9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Triamcinolon
Delphicort
Volon
Triamcinlon
Adcortyl
CL 19823
Ledercort
Kenacort
Polcortolon
Kenacort AG
Tricortale
Omicilon
Cinolone
NSC 13397
Mycolog
Fluoxiprednisolone
Identifiers:
SMILES:
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
InChI:
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
Key Properties
Melting Point
269-271 °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 | 394.44 g/mol | CAS Common Chemistry |
| 394.4390000000002 g/mol | RDKit | |
| 394.179166804 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(O)C(O)(C(=O)CO)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GFNANZIMVAIWHM-OBYCQNJPSA-N | CAS Common Chemistry |
| Melting Point | 269-271 °C | CAS Common Chemistry |
| Name | Triamcinolone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06 Ų | RDKit |
| LogP | 0.6204999999999998 | RDKit |
| Molar Refractivity | 96.78720000000003 | RDKit |
