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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
Vetazine
Triamhexal
Lichtena
Aristicort
Rheudenolone
MaQuaid
Valon A 10
I-Vation
Triesence
Trivaris
Triakort
Pol'kortolon
Kenacort 40
Berlicort
Tamceton
Kenalog 40
Kenacort A 40
Aristocort A
Triamcort-Depot
NSC 21916
Tri-Nasal
Adcortyl
Delphicort
Ledercort Cream
Triacet
Tricinolon
Volonimat
Triamonide 40
Ftorocort
TAC 3
Rineton
Respicort
Tramacin
TAC 40
Trymex
Extracort
Triam
Nasacort
Aftach
Kenacort 80
Azmacort
Trianopollon
Kenalog 10
Triamcinolone 16α,17α-acetonide
Queyanshusong A
Omcilon A
Vetalog
Solodelf
Adcortyl A
Volon A
9-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
9-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
Kenacort A
Paralen
Triamcinolone 16,17-acetonide
Triamcinolone acetonide
Kenalog
9α-Fluoro-16α-hydroxyprednisolone 16α,17α-acetonide
9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidenedioxy-1,4-pregnadiene-3,20-dione
Aristoderm
Aristocort acetonide
(11β,16α)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.4188000000000005 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.59860000000005 | RDKit |
