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Beclomethasone Dipropionate
CAS: 5534-09-8 | C28H37ClO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5534-09-8
Molecular Formula:
C28H37ClO7
Molecular Weight:
521.0500000000003 g/mol
Names and Synonyms:
Beclomethasone Dipropionate
Common Name
Belcomet
Synonym
Beclovent Inhaler
Synonym
Rino-Clenil
Synonym
Korbutone
Synonym
Becloval
Synonym
Belcoforte
Synonym
Clenil A
Synonym
Entyderma
Synonym
Inalone R
Synonym
Inalone O
Synonym
Viarox
Synonym
Becodisks
Synonym
Aldecin
Synonym
Sanasthymyl
Synonym
Sanasthmax
Synonym
Sch 8020W
Synonym
Andion
Synonym
Beclacin
Synonym
Viarex
Synonym
Anceron
Synonym
Belchlorhinol
Synonym
Aldecin AQ nasal
Synonym
Beclate
Synonym
Beclomethasone dipropionate
Synonym
QVAR
Synonym
Aerobec
Synonym
Vancenase AQ
Synonym
Beconase AQ
Synonym
Vanceril DS
Synonym
Beclotide 100
Synonym
Beclotide
Synonym
Beclazone
Synonym
Beclazone 250
Synonym
Beclazone 50
Synonym
Beconase
Synonym
Vancenase
Synonym
Beclovent
Synonym
Beclomet
Synonym
Beclomethasone 17α,21-dipropionate
Synonym
Propaderm Forte
Synonym
Beclometasone 17,21-dipropionate
Synonym
Vanceril
Synonym
Becotide
Synonym
Sanasthmyl
Synonym
Beclomethasone 17,21-dipropionate
Synonym
Propaderm
Synonym
9α-Chloro-16β-methylprednisolone 17,21-dipropionate
Synonym
Beclometasone dipropionate
Synonym
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Synonym
Pregna-1,4-diene-3,20-dione, 9-chloro-11β,17,21-trihydroxy-16β-methyl-, 17,21-dipropionate
Synonym
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-
Synonym
orBec
Synonym
Qvar 50
Synonym
Becloneb
Synonym
Topster
Synonym
Clenil
Synonym
Nasobec
Synonym
Ventolair
Synonym
Identifiers:
SMILES:
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/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 | 521.05 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C32Cl)C None | Legacy Database |
| cas-inchi | InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=KUVIULQEHSCUHY-XYWKZLDCSA-N None | Legacy Database |
| cas-melting-point | 117-120 °C None | Legacy Database |
| cas-name | Beclomethasone dipropionate None | Legacy Database |
| LogP | 4.086800000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 521.0500000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 520.222781204 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 36 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 106.97000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 133.01780000000002 | RDKit |