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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
Names and Synonyms:
Triamcinolone Diacetate
Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11β,16α)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, 16,21-diacetate
(11β,16α)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
Aristocort diacetate forte
Aristocort diacetate parenteral
Aristocort Forte
16α,21-Diacetoxy-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione
Δ1-9α-Fluoro-16α-hydroxyhydrocortisone diacetate
9α-Fluoro-16α-hydroxyprednisolone 16,21-diacetate
9α-Fluoro-1,4-pregnadiene-11β,16α,17α,21-tetraol-3,20-dione 16,21-diacetate
9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-diacetate
Δ1-16α-Hydroxy-9α-fluorohydrocortisone diacetate
16α-Hydroxy-9α-fluoroprednisolone diacetate
Kenacourt
Orion
Triamcinolone diacetate
Triamcinolone 16,21-diacetate
Aristocort Parenterals
Polcortolon
8357RP
Tedarol
Triamolone 40
Aristocort Forte Parenteral
Aristocort Syrup
Tracilon
Cenacort
TAC-D
Kenacort diacetate Syrup
CINO 40
Identifiers:
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:
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
Key Properties
Melting Point
235 °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 | 478.51 g/mol | CAS Common Chemistry |
| 478.5130000000003 g/mol | RDKit | |
| 478.200296172 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 |
| Molar Refractivity | 115.88160000000005 | RDKit |
