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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 Mass:
521.05 g/mol
Names and Synonyms:
Beclomethasone Dipropionate
Ventolair
Nasobec
Clenil
Topster
Becloneb
Qvar 50
orBec
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-
Pregna-1,4-diene-3,20-dione, 9-chloro-11β,17,21-trihydroxy-16β-methyl-, 17,21-dipropionate
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Beclometasone dipropionate
9α-Chloro-16β-methylprednisolone 17,21-dipropionate
Propaderm
Beclomethasone 17,21-dipropionate
Sanasthmyl
Becotide
Vanceril
Beclometasone 17,21-dipropionate
Propaderm Forte
Beclomethasone 17α,21-dipropionate
Beclomet
Beclovent
Vancenase
Beconase
Beclazone 50
Beclazone 250
Beclazone
Beclotide
Beclotide 100
Vanceril DS
Beconase AQ
Vancenase AQ
Aerobec
QVAR
Beclomethasone dipropionate
Beclate
Aldecin AQ nasal
Belchlorhinol
Anceron
Viarex
Beclacin
Andion
Sch 8020W
Sanasthmax
Sanasthymyl
Aldecin
Becodisks
Viarox
Inalone O
Inalone R
Entyderma
Clenil A
Belcoforte
Becloval
Korbutone
Rino-Clenil
Beclovent Inhaler
Belcomet
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
Key Properties
Melting Point
117-120 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 521.05 g/mol | CAS Common Chemistry |
| 521.0500000000003 g/mol | RDKit | |
| 520.222781204 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C32Cl)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=KUVIULQEHSCUHY-XYWKZLDCSA-N | CAS Common Chemistry |
| Melting Point | 117-120 °C | CAS Common Chemistry |
| Name | Beclomethasone dipropionate | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.97000000000001 Ų | RDKit |
| LogP | 4.086800000000004 | RDKit |
| Molar Refractivity | 133.01780000000002 | RDKit |
