Back to Search

Betamethasone

CAS: 378-44-9 | C22H29FO5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 378-44-9
Molecular Formula: C22H29FO5
Molecular Weight: 392.4670000000002 g/mol

Names and Synonyms:

Betamethasone
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16β)-
Dermabet
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-
(11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
Betamethasone
Betamethazone
Betnelan
Betsolan
Celestone
9α-Fluoro-16β-methylprednisolone
9α-Fluoro-16β-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
9α-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
β-Methasone
β-Methasone alcohol
9α-Fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
9-Fluoro-16β-methylprednisolone
Betacorlan
Rinderon
Betacortril
Celestene
Betapredol
Cidoten
Betasolon
Desacort-Beta
Rinderon A
Bedifos
Celeston
Colircusi betamida
Bifas
Flubenisolone
Visubeta
Becort
Sch 4831
NSC 39470
Betadexamethasone
Celestan
Betametasone
Flosteron
Bethamethasone
Betacortil
Ethamethasoneb

Identifiers:

SMILES:
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI:
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 392.4670000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 392.19990224799994 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 28 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 94.83 Ų RDKit

Physical Properties

Property Value Source
LogP 1.8957000000000002 RDKit
molecular_mass 392.47 g/mol Legacy Database
cas-canonical-smile O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32F)C None Legacy Database
cas-inchi InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 None Legacy Database
cas-inchi-key InChIKey=UREBDLICKHMUKA-DVTGEIKXSA-N None Legacy Database
cas-melting-point 231-234 °C (decomp) None Legacy Database
cas-name Betamethasone None Legacy Database

Molar

Property Value Source
Molar Refractivity 99.94440000000004 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close