Mometasone furoate (CED0004978)

Record Information

Version

1.0

Creation Date

2016-05-22 03:43:53 UTC

Update Date

2026-08-22 07:27:16 UTC

Accession Number

CHEM016793

Identification

Common Name

Mometasone furoate

Class

Small Molecule

Description

Mometasone furoate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 521.43 g/mol, Mometasone furoate is a heavy molecule. It has the chemical formula C27H30Cl2O6. The compound is recorded as being found in or released from eight sources. These include healthcare, pharmaceuticals, and veterinary products, specifically corticosteroids, nasal preparations, and drugs for obstructive airway diseases. Additionally, it is found in household cleaning and consumer products, including pipe accessories, non electric simulated smoking devices, and other smoking requisites, as well as electrical and electronic equipment such as television systems and antennas. Exposure routes for this substance include topical, respiratory, nasal, and intrasinal. At the molecular level, Mometasone furoate interacts with two recorded protein targets. It acts as an agonist or modulator of the glucocorticoid receptor (NR3C1) and the progesterone receptor (PGR).

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
Mometasone 17-furoate	ChEBI
Asmanex	Kegg
Elocon	Kegg
Mometasone 17-furoic acid	Generator
Mometasone furoic acid	Generator
Asmanex twisthaler	MeSH
Monohydrate, mometasone furoate	MeSH
Twisthaler, asmanex	MeSH
Furoate, mometasone	MeSH
Rinelon	MeSH
Mometasone	MeSH
Furoate monohydrate, mometasone	MeSH
Mometasone furoate monohydrate	MeSH
Nasonex	MeSH

Chemical Formula

C₂₇H₃₀Cl₂O₆

Average Molecular Mass

521.429 g/mol

Monoisotopic Mass

520.142 g/mol

CAS Registry Number

83919-23-7

IUPAC Name

(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl furan-2-carboxylate

Traditional Name

nasonex

SMILES

[H][C@@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)CCl

InChI Identifier

InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1

InChI Key

WOFMFGQZHJDGCX-ZULDAHANSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Pregnane steroids

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Substituents

Progestogin-skeleton
20-oxosteroid
Steroid ester
Halo-steroid
Hydroxysteroid
3-oxo-delta-1,4-steroid
3-oxosteroid
9-halo-steroid
Oxosteroid
11-hydroxysteroid
11-beta-hydroxysteroid
Delta-1,4-steroid
Furoic acid ester
Furoic acid or derivatives
Alpha-haloketone
Alpha-chloroketone
Heteroaromatic compound
Furan
Cyclic alcohol
Halohydrin
Ketone
Chlorohydrin
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alkyl halide
Organooxygen compound
Organochloride
Organohalogen compound
Alkyl chloride
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organochlorine compound (CHEBI:47564 )
11beta-hydroxy steroid (CHEBI:47564 )
steroid ester (CHEBI:47564 )
20-oxo steroid (CHEBI:47564 )
3-oxo-Delta(1),Delta(4)-steroid (CHEBI:47564 )
2-furoate ester (CHEBI:47564 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.011 g/L	ALOGPS
logP	4.27	ALOGPS
logP	5.06	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	13.84	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	93.81 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	132.5 m³·mol⁻¹	ChemAxon
Polarizability	52.37 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ba-2921000000-3936ad7a701d12d930e6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03mj-3891000000-64a4294ec7bf5ac82d6c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-0001690000-d7276146f6078ba41678	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0600-0067950000-2aecfda0ffc96630bc67	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-2369100000-7adcb10ad50d71b4df64	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0200490000-a1cbb39c2edaa4777c5f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02u0-3201940000-d214c51b27dab3e77043	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9201200000-23413734ff9c903a6303	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
271.0	Log mg/kg	[150:480]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
309	Corticosteroids	Healthcare, pharmaceuticals & veterinary products	Not Available
389	Nasal preparations	Healthcare, pharmaceuticals & veterinary products	Not Available
391	Drugs for obstructive airway diseases	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available

Pathways

1 pathway

Mometasone furoate Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	1.32344
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Tyrosine aminotransferase	P04694	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	33.2416
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	4.35956
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	9.6533
Click to view 3D structure	Glucocorticoid receptor	P06536	Rattus norvegicus	Predicted (SEA)	3.89246
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	17.2825
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	8.17417
Click to view 3D structure	Solute carrier organic anion transporter family member 1B3	Q9NPD5	Humans	Predicted (SEA)	5.83869
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	13.7015
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	73.4897
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	Q9R1A7	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	74.7353
Click to view 3D structure	Pyruvate carboxylase, mitochondrial	P11498	Humans	Predicted (SEA)	0.467095
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	121.6
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2699.58
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	557.478
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	2667.35
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	982.535
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	1055.01
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	3421.24
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	3127.2
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	3389.4
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	3322.68