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Molecule
Triamcinolone Acetonide
CAS: 76-25-5 · C24H31FO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76-25-5
- Molecular Formula
- C24H31FO6
- Molecular Mass
- 434.50 g/mol
Identifiers
CAS Registry Number
76-25-5
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI Key
YNDXUCZADRHECN-JNQJZLCISA-N
InChI
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
Names and Synonyms
- Triamcinolone Acetonide Common Name
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone Synonym
- (11β,16α)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione Synonym
- Aristocort acetonide Synonym
- Aristoderm Synonym
- 9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidenedioxy-1,4-pregnadiene-3,20-dione Synonym
- 9α-Fluoro-16α-hydroxyprednisolone 16α,17α-acetonide Synonym
- Kenalog Synonym
- Triamcinolone acetonide Synonym
- Triamcinolone 16,17-acetonide Synonym
- Paralen Synonym
- Kenacort A Synonym
- 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide Synonym
- 9-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione Synonym
- 9-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione Synonym
- Volon A Synonym
- Adcortyl A Synonym
- Solodelf Synonym
- Vetalog Synonym
- Omcilon A Synonym
- Queyanshusong A Synonym
- Triamcinolone 16α,17α-acetonide Synonym
- Kenalog 10 Synonym
- Trianopollon Synonym
- Azmacort Synonym
- Kenacort 80 Synonym
- Aftach Synonym
- Nasacort Synonym
- Triam Synonym
- Extracort Synonym
- Trymex Synonym
- TAC 40 Synonym
- Tramacin Synonym
- Respicort Synonym
- Rineton Synonym
- TAC 3 Synonym
- Ftorocort Synonym
- Triamonide 40 Synonym
- Volonimat Synonym
- Tricinolon Synonym
- Triacet Synonym
- Ledercort Cream Synonym
- Delphicort Synonym
- Adcortyl Synonym
- Tri-Nasal Synonym
- NSC 21916 Synonym
- Triamcort-Depot Synonym
- Aristocort A Synonym
- Kenacort A 40 Synonym
- Aristicort Synonym
- Lichtena Synonym
- Triamhexal Synonym
- Vetazine Synonym
- Kenalog 40 Synonym
- Tamceton Synonym
- Berlicort Synonym
- Kenacort 40 Synonym
- Pol'kortolon Synonym
- Triakort Synonym
- Trivaris Synonym
- Triesence Synonym
- I-Vation Synonym
- Valon A 10 Synonym
- MaQuaid Synonym
- Rheudenolone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 434.50 g/mol | CAS Common Chemistry |
| 434.50400000000025 g/mol | RDKit | |
| 434.504 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YNDXUCZADRHECN-JNQJZLCISA-N | CAS Common Chemistry |
| Melting Point | 293 °C | CAS Common Chemistry |
| Name | Triamcinolone acetonide | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.06 Ų | RDKit |
| LogP | 2.4188000000000005 | RDKit |
| 2.4188 | RDKit | |
| Molar Refractivity | 108.59860000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 434.2104669319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
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MW = 434.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H31FO6.
