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Molecule

Beclomethasone Dipropionate

CAS: 5534-09-8 · C28H37ClO7

2D Structure

3D Structure

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Basic Information

CAS Registry Number
5534-09-8
Molecular Formula
C28H37ClO7
Molecular Mass
521.05 g/mol

Identifiers

CAS Registry Number

5534-09-8

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 Key

KUVIULQEHSCUHY-XYWKZLDCSA-N

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

Names and Synonyms

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

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 521.05 g/mol CAS Common Chemistry
521.0500000000003 g/mol RDKit
521.047 g/mol chempirical lib
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
106.97 Ų RDKit
LogP 4.086800000000004 RDKit
4.0868 RDKit
Molar Refractivity 133.01780000000002 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.7143 RDKit
0.71 chempirical lib
Exact Mass 520.222781204 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

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 = 521.05 g/mol. Edit any field — others recompute live.

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