Betamethasone (CAS 378-44-9)

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-/m1/s1

InChI Key

UREBDLICKHMUKA-FGEXTOQASA-N

Formula

C22H29FO5

SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

Molecular Weight¹

392.46

CAS

378-44-9

Other Names

(11«beta»,16«beta»)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
(11Â«betaÂ»,16Â«betaÂ»)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
16-«beta»-Methyl-1,4-pregnadiene-9-«alpha»-fluoro-11-«beta»,17-«alpha»,21-triol-3,20-dione
16-Â«betaÂ»-Methyl-1,4-pregnadiene-9-Â«alphaÂ»-fluoro-11-Â«betaÂ»,17-Â«alphaÂ»,21-triol-3,20-dione
9-Fluoro-11«beta»,17,21-trihydroxy-16«beta»-methylpregna-1,4-diene-3,20-dione
9-Fluoro-11Â«betaÂ»,17,21-trihydroxy-16Â«betaÂ»-methylpregna-1,4-diene-3,20-dione
9-Fluoro-16«beta»-methylprednisolone
9-Fluoro-16Â«betaÂ»-methylprednisolone
9-«alpha»-Fluoro-11-«beta»,17,21-trihydroxy-16-«beta»-methylpregna-1,4-diene-3,20-dione
9-«alpha»-Fluoro-11-«beta»,17-«alpha»,21-trihydroxy-16-«beta»-methylpregna-1,4-diene-3,20-dione
9-«alpha»-Fluoro-16-«beta»-methyl-1,4-pregnadiene-11-«beta»,17-«alpha»,21-triol-3,20-dione
9-Â«alphaÂ»-Fluoro-11-Â«betaÂ»,17,21-trihydroxy-16-Â«betaÂ»-methylpregna-1,4-diene-3,20-dione
9-Â«alphaÂ»-Fluoro-11-Â«betaÂ»,17-Â«alphaÂ»,21-trihydroxy-16-Â«betaÂ»-methylpregna-1,4-diene-3,20-dione
9-Â«alphaÂ»-Fluoro-16-Â«betaÂ»-methyl-1,4-pregnadiene-11-Â«betaÂ»,17-Â«alphaÂ»,21-triol-3,20-dione
9«alpha»-Fluoro-16«beta»-methylprednisolone
9Â«alphaÂ»-Fluoro-16Â«betaÂ»-methylprednisolone
Bebate
Becort
Bedifos
Betacorlan
Betacortril
Betadexamethasone
Betamamallet
Betametasone
Betamethazone
Betapredol
Betasolon
Betnelan
Betsolan
Celestene
Celestone
Cidoten
Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16«beta»-methyl-
Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16Â«betaÂ»-methyl-
Dermabet
Desacort-beta
Desacort-«beta»
Desacort-Â«betaÂ»
Flubenisolone
Hormezon
Methazon
NSC-39470
Prednisolone, 9-fluoro-16«beta»-methyl-
Prednisolone, 9-fluoro-16Â«betaÂ»-methyl-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«beta»)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11Â«betaÂ»,16Â«betaÂ»)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«beta»-methyl-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11Â«betaÂ»,17,21-trihydroxy-16Â«betaÂ»-methyl-
Pregna-1,4-diene-3,20-dione, 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-
Rinderon
Rinderon A
Sch 4831
Valisone
Visubeta
«beta»-Corlan
«beta»-Methasone
«beta»-Methasone alcohol
Â«betaÂ»-Corlan
Â«betaÂ»-Methasone
Â«betaÂ»-Methasone alcohol

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.8334		Relay (1.0) Calculated Property
Δ_fG°	-542.43	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-934.53	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	32.38	kJ/mol	Joback Calculated Property
Δ_vapH°	161.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.77		Aq. Solubility Prediction
logP_oct/wat	1.896		Crippen Calculated Property
McVol	291.320	ml/mol	McGowan Calculated Property
P_c	1973.55	kPa	Joback Calculated Property
T_boil	677.31	K	Relay (1.0) Calculated Property
T_c	1031.66	K	Relay (1.0) Calculated Property
T_fus	521.70	K	Relay (1.0) Calculated Property
V_c	1.019	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1266.64; 1708.64]	J/mol×K	[1134.15; 1389.42]

C_p,gas	1266.64	J/mol×K	1134.15	Joback Calculated Property
C_p,gas	1322.47	J/mol×K	1176.69	Joback Calculated Property
C_p,gas	1384.52	J/mol×K	1219.24	Joback Calculated Property
C_p,gas	1453.49	J/mol×K	1261.78	Joback Calculated Property
C_p,gas	1530.04	J/mol×K	1304.33	Joback Calculated Property
C_p,gas	1614.86	J/mol×K	1346.87	Joback Calculated Property
C_p,gas	1708.64	J/mol×K	1389.42	Joback Calculated Property

Similar Compounds

9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt.

Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate.

9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.

Find more compounds similar to Betamethasone.

Sources

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Chemical Properties of Betamethasone (CAS 378-44-9)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources