Back to Search
Molecule
Triamcinolone Diacetate
CAS: 67-78-7 · C25H31FO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67-78-7
- Molecular Formula
- C25H31FO8
- Molecular Mass
- 478.51 g/mol
Identifiers
CAS Registry Number
67-78-7
SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI Key
XGMPVBXKDAHORN-RBWIMXSLSA-N
InChI
InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1
Names and Synonyms
- Triamcinolone Diacetate Synonym
- Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, 16,21-diacetate Synonym
- (11β,16α)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione Synonym
- Aristocort diacetate forte Synonym
- Aristocort diacetate parenteral Synonym
- Aristocort Forte Synonym
- 16α,21-Diacetoxy-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione Synonym
- Δ1-9α-Fluoro-16α-hydroxyhydrocortisone diacetate Synonym
- 9α-Fluoro-16α-hydroxyprednisolone 16,21-diacetate Synonym
- 9α-Fluoro-1,4-pregnadiene-11β,16α,17α,21-tetraol-3,20-dione 16,21-diacetate Synonym
- 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-diacetate Synonym
- Δ1-16α-Hydroxy-9α-fluorohydrocortisone diacetate Synonym
- 16α-Hydroxy-9α-fluoroprednisolone diacetate Synonym
- Kenacourt Synonym
- Orion Synonym
- Triamcinolone diacetate Synonym
- Triamcinolone 16,21-diacetate Synonym
- Aristocort Parenterals Synonym
- Polcortolon Synonym
- 8357RP Synonym
- Tedarol Synonym
- Triamolone 40 Synonym
- Aristocort Forte Parenteral Synonym
- Aristocort Syrup Synonym
- Tracilon Synonym
- Cenacort Synonym
- TAC-D Synonym
- Kenacort diacetate Syrup Synonym
- CINO 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 478.51 g/mol | CAS Common Chemistry |
| 478.5130000000003 g/mol | RDKit | |
| 478.513 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(OC(=O)C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XGMPVBXKDAHORN-RBWIMXSLSA-N | CAS Common Chemistry |
| Melting Point | 235 °C | CAS Common Chemistry |
| Name | Triamcinolone diacetate | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.2 Ų | RDKit |
| LogP | 1.7620999999999991 | RDKit |
| 1.7621 | RDKit | |
| Molar Refractivity | 115.88160000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.68 | RDKit |
| Exact Mass | 478.200296172 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 478.51 g/mol. Edit any field — others recompute live.
