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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
Belcomet
Beclovent Inhaler
Rino-Clenil
Korbutone
Becloval
Belcoforte
Clenil A
Entyderma
Inalone R
Inalone O
Viarox
Becodisks
Aldecin
Sanasthymyl
Sanasthmax
Sch 8020W
Andion
Beclacin
Viarex
Anceron
Belchlorhinol
Aldecin AQ nasal
Beclate
Beclomethasone dipropionate
QVAR
Aerobec
Vancenase AQ
Beconase AQ
Vanceril DS
Beclotide 100
Beclotide
Beclazone
Beclazone 250
Beclazone 50
Beconase
Vancenase
Beclovent
Beclomet
Beclomethasone 17α,21-dipropionate
Propaderm Forte
Beclometasone 17,21-dipropionate
Vanceril
Becotide
Sanasthmyl
Beclomethasone 17,21-dipropionate
Propaderm
9α-Chloro-16β-methylprednisolone 17,21-dipropionate
Beclometasone dipropionate
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 9-chloro-11β,17,21-trihydroxy-16β-methyl-, 17,21-dipropionate
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-
orBec
Qvar 50
Becloneb
Topster
Clenil
Nasobec
Ventolair
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.086800000000004 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 133.01780000000002 | RDKit |
