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Triamcinolone Acetonide
CAS: 76-25-5 | C24H31FO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-25-5
Molecular Formula:
C24H31FO6
Molecular Weight:
434.50400000000025 g/mol
Names and Synonyms:
Triamcinolone Acetonide
Common Name
Vetazine
Synonym
Triamhexal
Synonym
Lichtena
Synonym
Aristicort
Synonym
Rheudenolone
Synonym
MaQuaid
Synonym
Valon A 10
Synonym
I-Vation
Synonym
Triesence
Synonym
Trivaris
Synonym
Triakort
Synonym
Pol'kortolon
Synonym
Kenacort 40
Synonym
Berlicort
Synonym
Tamceton
Synonym
Kenalog 40
Synonym
Kenacort A 40
Synonym
Aristocort A
Synonym
Triamcort-Depot
Synonym
NSC 21916
Synonym
Tri-Nasal
Synonym
Adcortyl
Synonym
Delphicort
Synonym
Ledercort Cream
Synonym
Triacet
Synonym
Tricinolon
Synonym
Volonimat
Synonym
Triamonide 40
Synonym
Ftorocort
Synonym
TAC 3
Synonym
Rineton
Synonym
Respicort
Synonym
Tramacin
Synonym
TAC 40
Synonym
Trymex
Synonym
Extracort
Synonym
Triam
Synonym
Nasacort
Synonym
Aftach
Synonym
Kenacort 80
Synonym
Azmacort
Synonym
Trianopollon
Synonym
Kenalog 10
Synonym
Triamcinolone 16α,17α-acetonide
Synonym
Queyanshusong A
Synonym
Omcilon A
Synonym
Vetalog
Synonym
Solodelf
Synonym
Adcortyl A
Synonym
Volon A
Synonym
9-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Synonym
9-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Synonym
9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
Synonym
Kenacort A
Synonym
Paralen
Synonym
Triamcinolone 16,17-acetonide
Synonym
Triamcinolone acetonide
Synonym
Kenalog
Synonym
9α-Fluoro-16α-hydroxyprednisolone 16α,17α-acetonide
Synonym
9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidenedioxy-1,4-pregnadiene-3,20-dione
Synonym
Aristoderm
Synonym
Aristocort acetonide
Synonym
(11β,16α)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
Synonym
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
Synonym
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
Synonym
Identifiers:
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:
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 434.50 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=YNDXUCZADRHECN-JNQJZLCISA-N None | Legacy Database |
| cas-melting-point | 293 °C None | Legacy Database |
| cas-name | Triamcinolone acetonide None | Legacy Database |
| LogP | 2.4188000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 434.50400000000025 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 434.2104669319999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 31 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.06 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.59860000000005 | RDKit |