Hydrocortisone (CAS 50-23-7)

InChI

InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m1/s1

InChI Key

JYGXADMDTFJGBT-NDNUHCHRSA-N

Formula

C21H30O5

SMILES

CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

Molecular Weight¹

362.46

CAS

50-23-7

Other Names

11,17,21-Trihydroxypregn-4-ene-3,20-dione, (11«beta»)-
11,17,21-Trihydroxypregn-4-ene-3,20-dione, (11Â«betaÂ»)-
11.beta.,17.alpha.,21-trihydroxypregn-4-ene-3,20-dione
11Beta,17,21-trihydroxy progesterone
11«beta»,17,21-Trihydroxypregn-4-ene-3,20-dione
11«beta»,17,21-trihydroxyprogesterone
11«beta»,17«alpha»,21-Trihydroxy-4-pregnene-3,20-dione
11«beta»,17«alpha»,21-Trihydroxypregn-4-ene-3,20-dione
11«beta»-Hydrocortisone
11«beta»-Hydroxycortisone
11Â«betaÂ»,17,21-Trihydroxypregn-4-ene-3,20-dione
11Â«betaÂ»,17,21-trihydroxyprogesterone
11Â«betaÂ»,17Â«alphaÂ»,21-Trihydroxy-4-pregnene-3,20-dione
11Â«betaÂ»,17Â«alphaÂ»,21-Trihydroxypregn-4-ene-3,20-dione
11Â«betaÂ»-Hydrocortisone
11Â«betaÂ»-Hydroxycortisone
17-Hydroxycorticosterone
17«alpha»-Hydroxycorticosterone
17Â«alphaÂ»-Hydroxycorticosterone
4-Pregnen-11«beta»,17«alpha»,21-triol-3,20-dione
4-Pregnen-11Â«betaÂ»,17Â«alphaÂ»,21-triol-3,20-dione
4-Pregnene-11«beta»,17«alpha»,21-triol-3,20-dione
4-Pregnene-11Â«betaÂ»,17Â«alphaÂ»,21-triol-3,20-dione
Acticort
Aeroseb HC
Ala-Scalp
Alacort
Anflam
Barseb HC
CaldeCort Spray
Cetacort
Cleiton
Cobadex
Compound F
Compound F (kendall)
Cort-Dome
Cortanal
Cortef
Cortenema
Corticreme
Cortifan
Cortiment
Cortisol
Cortisol alcohol
Cortispray
Cortolotion
Cortonema
Cortoxide
Cortril
Cremesone
Delacort
Dermacort
Dermocortal
Dermolate
Dihydrocostisone
Dioderm
Domolene-HC
Efcorbin
Efcortelan
Efcortelin
Eldecort
Eldercort
Epicort
Epiderm H
Esiderm H
Ficortril
Fiocortril
Genacort
H-Cort
HC
Heb-Cort
Hidro-Colisona
Hycort
Hycortol
Hycortole
Hydrasson
Hydro-Adreson
Hydro-colisona
Hydrocorticosterone
Hydrocortisone alcohol
Hydrocortisone free alcohol
Hydrocortistab
Hydrocortisyl
Hydrocortone
Hydroxycortisone
Hytone
Hytone lotion
Incortin-H
Incortin-hydrogen
Kendall's Compound F
Komed HC
Lacticare-HC
Maintasone
Medicort
Mildison
NSC 10483
Nutracort
Optef
Otosone-F
Penecort
Permicort
Polcort H
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11«beta»)-
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11Â«betaÂ»)-
Pregn-4-ene-3,20-dione, 11«beta»,17,21-trihydroxy-
Pregn-4-ene-3,20-dione, 11Â«betaÂ»,17,21-trihydroxy-
Proctocort
Rectoid
Reichstein's Substance M
Scheroson F
Signef
Tarcortin
Texacort lotion 25
Topicort
Traumaide
U 1851
Zenoxone
anti-Inflammatory hormone

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
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_fusH : Enthalpy of fusion at a given temperature (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	0.8634		Relay (1.0) Calculated Property
Δ_cH°_solid	-11480.00 ± 30.00	kJ/mol	NIST
Δ_fG°	-372.80	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-829.02	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	30.71	kJ/mol	Joback Calculated Property
Δ_vapH°	156.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log₁₀WS	[-3.09; -3.05]
log₁₀WS	-3.09		Estimated Solubility
log₁₀WS	-3.05		Aq. Solubility Prediction
logP_oct/wat	1.782		Crippen Calculated Property
McVol	279.760	ml/mol	McGowan Calculated Property
P_c	2147.32	kPa	Joback Calculated Property
T_boil	685.30	K	Relay (1.0) Calculated Property
T_c	1038.14	K	Relay (1.0) Calculated Property
T_fus	[490.70; 494.75]	K
T_fus	490.70	K	Aq. Solubility Prediction
T_fus	494.75	K	Thermodynamic equilibrium of hydrocortisone form I in different solvent systems
V_c	0.991	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1185.49; 1514.13]	J/mol×K	[1117.27; 1367.94]

C_p,gas	1185.49	J/mol×K	1117.27	Joback Calculated Property
C_p,gas	1228.38	J/mol×K	1159.05	Joback Calculated Property
C_p,gas	1275.34	J/mol×K	1200.83	Joback Calculated Property
C_p,gas	1326.87	J/mol×K	1242.60	Joback Calculated Property
C_p,gas	1383.50	J/mol×K	1284.38	Joback Calculated Property
C_p,gas	1445.75	J/mol×K	1326.16	Joback Calculated Property
C_p,gas	1514.13	J/mol×K	1367.94	Joback Calculated Property
Δ_fusH	[35.84; 35.84]	kJ/mol	[486.00; 486.00]
Δ_fusH	35.84	kJ/mol	486.00	NIST
Δ_fusH	35.84	kJ/mol	486.00	NIST

Similar Compounds

11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione.

2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione.

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

6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine.

11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione.

11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione.

11«alpha»-Hydroxy-17«alpha»-methyl testosterone.

Find more compounds similar to Hydrocortisone.

Mixtures

Sources

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Chemical Properties of Hydrocortisone (CAS 50-23-7)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources