What is the molecular formula of Hydrocortisone?

Hydrocortisone has a molecular formula of C 21 H 30 O 5

What is the InChI Key of Hydrocortisone molecule?

The InChI Key of Hydrocortisone is: JYGXADMDTFJGBT-VWUMJDOOSA-N.

What is the molecular weight of Hydrocortisone?

Hydrocortisone presents a molecular weight of 362.46 g/mol.

Hydrocortisone

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Hydrocortisone are summarized together with 3D and 2D structures and relevant physico-chemical properties.

Table of Contents

1. What is Hydrocortisone?
2. 3D Structure
3. Cartesian coordinates
4. 2D Drawing
5. Molecule descriptors
6. Physico-Chemical properties

What is the Hydrocortisone?

The molecule Hydrocortisone presents a molecular formula of C₂₁H₃₀O₅ and its IUPAC name is (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Hydrocortisone is a steroid hormone that is produced by the adrenal gland. It participes in a variety of physiological processes, including stress response, immune function, and inflammation. Hydrocortisone is also a medication that is used to treat a variety of conditions, including allergies, asthma, and arthritis..

3D structure

Cartesian coordinates

Geometry of Hydrocortisone in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Hydrocortisone JYGXADMDTFJGBT-VWUMJDOOSA-N chemical compound 2D structure molecule svg — Hydrocortisone

Molecule descriptors

IUPAC name	(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI code	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-/m0/s1
InChI Key	JYGXADMDTFJGBT-VWUMJDOOSA-N
SMILES	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

(10R,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(11alpha,14beta)-11,17,21-Trihydroxypregn-4-Ene-3,20-Dione
(11beta)-11,17,21-Trihydroxy-pregn-4-ene-3,20-dione
(11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
(1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-5-one
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
11,17,21-Trihydroxypregn-4-ene-3,20-dione
11,17,21-Trihydroxypregn-4-ene-3,20-dione, (11.beta.)-
11-Hydrocortisone
11-beta-Hydrocortisone
11-beta-Hydroxycortisone
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
11?,17?,21-Trihydroxypregn-4-ene-3,20-dione
11a-Hydroxycorticosterone
11alpha-Hydroxycorticosterone
11b,17,21-Trihydroxyprogesterone
11b-Hydrocortisone
11b-Hydroxycortisone
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione
11beta,17,21-Trihydroxyprogesterone
11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
11beta,17alpha,21-Trihydroxypregn-4-ene-3,20-dione
11beta-Hydrocortisone
11beta-Hydroxycortisone
11beta-cortisol
17-Hydroxycorticosterone
17.alpha.-Hydroxycorticosterone
17a-Hydroxycorticosterone
17alpha-Hydroxycorticosterone
2v95
3h-cortisol
4-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
4-Pregnen-11.beta.,17.alpha.,21-triol-3,20-dione
4-Pregnen-11beta,17alpha,21-triol-3,20-dione
4-Pregnene-11.beta.,17.alpha.,21-triol-3,20-dione
4-Pregnene-11alpha,21-triol 3,20-dione
4-Pregnene-11b,17a,21-triol-3,20-dione
4-Pregnene-11beta,17alpha,21-triol-3,20-dione
4p6x
50-23-7
50H237
A929789
AC-12902
ACETASOL HC COMPONENT HYDROCORTISONE
AI3-25006
ALKINDI SPRINKLE
ALPHADERM COMPONENT HYDROCORTISONE
AS-11651
Acticort
Aeroseb HC
Aeroseb-HC
Ala-Cort
Ala-Scalp
Alacort
Algicirtis
Alphaderm
Amberin
Anflam
Anti-inflammatory hormone
Anucort
Anucort-HC
Anusol HC
Aquacort
Aquanil HC
B1951
B48448A1-24BA-47CA-8D9E-43E5BC949386
BCP09054
BDBM13775
BP-20390
BPBio1_000544
BSPBio_000494
Balneol-hc
Barseb HC
Basan-Corti
Beta-hc
C00735
CALMURID HC COMPONENT HYDROCORTISONE
CCG-204683
CCRIS 5854
CIPRO HC COMPONENT HYDROCORTISONE
COR-OTICIN
CaldeCORT Spray
Cetacort
Clear aid
Cleiton
Cobadex
Colocort
Compound F
Compound F (kendall)
Corhydron
Cort-Dome
Cortanal
Cortef
Cortenema
Cortesal
Corticreme
Cortifan
Cortiment
Cortisol
Cortisol alcohol
Cortisolonum
Cortisporin
Cortisporin Otico
Cortispray
Cortizol
Cortolotion
Cortonema
Cortoxide
Cortril
Cremesone
Cremicort-H
Cutisol
Chronocort
D00088
DB00741
DSSTox_CID_714
DSSTox_GSID_20714
DSSTox_RID_75753
Delacort
Derm-Aid
Dermacort
Dermaspray
Dermil
Dermocortal
Dermolate
Dihydrocostisone
Dioderm
Dome-cort
Domolene-HC
Drotic
DuoCort
EC 200-020-1
EU-0100594
Ef corlin
Efcorbin
Efcortelan
Efcortelin
Efmody
Eldecort
Eldercort
Epicort
Epiderm H
Epitope ID:174851
Esiderm H
Evacort
Ficortril
Fiocortril
Flexicort
Foille Insetti
GTPL2868
Genacort
Genacort (lotion)
Glycort
Gyno-Cortisone
H 4001
H-Cort
HC
HC #1
HC #4
HC (HYDROCORTISONE)
HMS1569I16
HMS2090M04
HMS2096I16
HMS2230B18
HMS2235F17
HMS3259C05
HMS3261H10
HMS3713I16
HSDB 3339
HY-N0583
HYDROCORTISONE COMPONENT OF ACETASOL HC
HYDROCORTISONE COMPONENT OF ALPHADERM
HYDROCORTISONE COMPONENT OF CALMURID HC
HYDROCORTISONE COMPONENT OF CIPRO HC
HYDROCORTISONE COMPONENT OF ORLEX HC
HYDROCORTISONE COMPONENT OF OTICAIR
HYDROCORTISONE COMPONENT OF OTOBIONE
HYDROCORTISONE COMPONENT OF OTOBIOTIC
HYDROCORTISONE COMPONENT OF OTOCORT
HYDROCORTISONE COMPONENT OF PEDIOTIC
HYDROCORTISONE COMPONENT OF PYOCIDIN
HYDROCORTISONE COMPONENT OF VOSOL HC
HYDROCORTISONE IN ABSORBASE
Heb Cort
Heb-Cort
Hidalone
Hidro-Colisona
Hidrocortisona
Hycort
Hycortol
Hycortole
Hydracort
Hydrasson
Hydro-Adreson
Hydro-Colisona
Hydro-RX
Hydrocort
Hydrocortal
Hydrocorticosterone
Hydrocortisone
Hydrocortisone (Cortisol)
Hydrocortisone (JP17/USP/INN)
Hydrocortisone alcohol
Hydrocortisone base
Hydrocortisone free alcohol
Hydrocortisone, meets USP testing specifications
Hydrocortisone, topical
Hydrocortisonum
Hydrocortisyl
Hydrocortone
Hydroskin
Hydroxycortisone
Hysone
Hytisone
Hytone
Hytone lotion
Idrocortisone
Incortin-H
Incortin-hydrogen
Kendall's compound F
Komed HC
Kyypakkaus
LMST02030001
LP00594
Lacticare HC
Lacticare-HC
Lactisona
Lopac0_000594
Lubricort
MFCD00011654
MLS000069609
MLS001148103
MLS002207135
MLS002222189
MLS002548868
Maintasone
Medicort
Meusicort
Mildison
Milliderm
NC00456
NCGC00022848-06
NCGC00022848-07
NCGC00022848-09
NCGC00022848-10
NCGC00022848-11
NCGC00022848-12
NCGC00022848-13
NCGC00022848-14
NCGC00022848-15
NCGC00022848-17
NCGC00022848-26
NCGC00258369-01
NCGC00261279-01
NCI60_000118
NSC 10483
NSC-10483
NSC10483
Neo-Cort-Dome
Neosporin-H Ear
Nogenic HC
Nutracort
Nystaform-HC
ORLEX HC COMPONENT HYDROCORTISONE
OTICAIR COMPONENT HYDROCORTISONE
OTOBIONE COMPONENT HYDROCORTISONE
OTOBIOTIC COMPONENT HYDROCORTISONE
OTOCORT COMPONENT HYDROCORTISONE
Opera_ID_1292
Ophthocort
Optef
Otalgine
Otic-Neo-Cort-Dome
Otobiotic
Otocort
Otosone-F
PEDIOTIC COMPONENT HYDROCORTISONE
PYOCIDIN COMPONENT HYDROCORTISONE
Pediotic Suspension
Penecort
Permicort
Plenadren
Polcort H
Pregn-4-ene-3, 11,17,21-trihydroxy-, (11.beta.)-
Pregn-4-ene-3, 11.beta.,17,21-trihydroxy-
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11-beta)-
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11b)-
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-
Pregn-4-ene-3,20-dione, 11.beta.,17,21-trihydroxy-
Pregn-4-ene-3,20-dione, 11beta,17,21-trihydroxy-
Preparation H Hydrocortisone Cream
Prepcort
Prestwick0_000447
Prestwick1_000447
Prestwick2_000447
Prestwick3_000447
Prestwick_265
Prevex HC
Proctocort
Proctofoam
Proctosol-HC
Proctozone HC
Protocort
Q-201211
Q190875
Racet
Rectasol-HC
Rectoid
Reichstein's substance M
Remederm HC
SDCCGSBI-0050576.P003
SMP1_000156
SMR000059022
SMR000653523
SR-01000000139
SR-01000000139-3
Sanatison
Scalp-Cort
Scalpicin Capilar
Schericur
Scheroson F
Sigmacort
Signef
Stie-cort
Stiefcorcil
Synacort
Systral Hydrocort
Tarcortin
Terra-cortril
Texacort
Texacort lotion 25
Timocort
Transderma H
Traumaide
U 1851
Uniderm
VOSOL HC COMPONENT HYDROCORTISONE
VoSol HC
Vytone
WI4X0X7BPJ
Z2786051549
Zenoxone
[3H]cortisol
component of Lubricort
component of Neo-Cort-Dome
component of Otalgine
hydrocortisone
s1696

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

ZINC13540519
CAS-50-23-7
UNII-WI4X0X7BPJ
AKOS001582651
BRD-K93568044-001-03-1
BRD-K93568044-001-11-4
BRD-K93568044-001-32-0
DTXSID7020714
CHEMBL389621
CHEBI:17650
Tox21_110883
Tox21_200815
Tox21_500594
Tox21_110883_1
EINECS 200-020-1
SPBio_002433
UPCMLD-DP133
UPCMLD-DP133:001
SCHEMBL4148

Physico-Chemical properties

IUPAC name	(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular formula	C₂₁H₃₀O₅
Molecular weight	362.46
Melting point (ºC)
Boiling point (ºC)
Density (g/cm³)
Molar refractivity	97.53
LogP	1.8
Topological polar surface area	94.8

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å² are required. Thus, molecules with a polar surface area greater than 140 Å² tend to be poorly permeable to cell membranes.