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Molecule
Mometasone Furoate
CAS: 83919-23-7 · C27H30Cl2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83919-23-7
- Molecular Formula
- C27H30Cl2O6
- Molecular Mass
- 521.44 g/mol
Identifiers
CAS Registry Number
83919-23-7
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl
InChI Key
WOFMFGQZHJDGCX-ZULDAHANSA-N
InChI
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
Names and Synonyms
- Mometasone Furoate Synonym
- Pregna-1,4-diene-3,20-dione, 9,21-dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, (11β,16α)- Synonym
- (11β,16α)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione Synonym
- Mometasone furoate Synonym
- Sch 32088 Synonym
- Nasonex Synonym
- Mometasone 17-(2-furoate) Synonym
- Elocon Synonym
- Elomet Synonym
- Elocom Synonym
- Ecural Synonym
- Asmanex Synonym
- Asmanex Twisthaler Synonym
- Twisthaler Synonym
- Monovo Synonym
- Ovixan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 521.44 g/mol | CAS Common Chemistry |
| 521.4370000000004 g/mol | RDKit | |
| 521.437 g/mol | RDKit | |
| 552.354 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)C=5OC=CC5)(C(=O)CCl)C4(C)CC(O)C32Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WOFMFGQZHJDGCX-ZULDAHANSA-N | CAS Common Chemistry |
| Melting Point | 218-220 °C | CAS Common Chemistry |
| Name | Mometasone furoate | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 93.81 Ų | RDKit |
| LogP | 4.869200000000005 | RDKit |
| 4.8692 | RDKit | |
| Molar Refractivity | 130.22830000000002 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5926 | RDKit |
| 0.65 | chempirical lib | |
| Exact Mass | 520.1419440399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 521.44 g/mol. Edit any field — others recompute live.
