Back to Search
Molecule
Flunisolide
CAS: 3385-03-3 · C24H31FO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3385-03-3
- Molecular Formula
- C24H31FO6
- Molecular Mass
- 434.50 g/mol
Identifiers
CAS Registry Number
3385-03-3
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI Key
XSFJVAJPIHIPKU-XWCQMRHXSA-N
InChI
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
Names and Synonyms
- Flunisolide Synonym
- Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 6α-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone Synonym
- 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv. Synonym
- (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione Synonym
- 6α-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione Synonym
- Flunisolide Synonym
- Nisolid Synonym
- Soluzione Synonym
- Nasarel Synonym
- Aerobid M Synonym
- Aerobid Synonym
- Bronalide Synonym
- Synaclyn Synonym
- RS 3999 Synonym
- Nasalide Synonym
- Lunis Synonym
- Syntaris Synonym
- Rhinalar 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)C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XSFJVAJPIHIPKU-XWCQMRHXSA-N | CAS Common Chemistry |
| Name | Flunisolide | 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 | 2.2747000000000006 | RDKit |
| 2.2747 | RDKit | |
| Molar Refractivity | 108.52860000000005 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
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 = 434.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H31FO6.
