MOF

MOMETASONE FUROATE

Created:	2004-03-26
Last modified:	2011-06-04

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3 entries where MOF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	8
Bond Count	69
Aromatic Bond Count	5

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Chemical Component Summary
Name	MOMETASONE FUROATE
Systematic Name (OpenEye OEToolkits)	[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroethanoyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Formula	C₂₇ H₃₀ Cl₂ O₆
Molecular Weight	521.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClCC(=O)C5(OC(=O)c1occc1)C4(C)CC(O)C3(Cl)C2(C=CC(=O)C=C2CCC3C4CC5C)C
SMILES	CACTVS	3.341	C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(Cl)[CH](O)C[C]2(C)[C]1(OC(=O)c5occc5)C(=O)CCl
SMILES	OpenEye OEToolkits	1.5.0	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C
Canonical SMILES	CACTVS	3.341	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5occc5)C(=O)CCl
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C
InChI	InChI	1.03	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
InChIKey	InChI	1.03	WOFMFGQZHJDGCX-ZULDAHANSA-N

Drug Info: DrugBank

DrugBank ID	DB14512 ?
Name	Mometasone furoate
Groups	approved investigational vet_approved
Description	Mometasone furoate is a corticosteroid drug that can be used for the treatment of asthma, rhinitis, and certain skin conditions[FDA Label][F4292,F4295]. It has a glucocorticoid receptor binding affinity 22 times stronger than [dexamethasone] and higher than many other corticosteroids as well[A176906]. Mometasone furoate is formulated as a dry powder inhaler, nasal spray, and ointment for its different indications[FDA Label][F4292,F4295].
Synonyms	Mometasone furoate Mometasone furoate monohydrate Mometasone furoate anhydrous
Brand Names	Sinuva Elocom Taro-mometasone Cream Mometasone Furoate Mometasone Furoate Monohydrate Dulera Ryaltris Nasal Allergy and Congestion Relief Apo-mometasone Hyaluronic Acid Sodium Salt 2% / Mometasone Furoate 0.1% / Niacinamide 4% Atectura Breezhaler Momexin Nasonex Taro-mometasone Ointment Asmanex HFA Nasonex Allergy and Congestion Allergy Nasal Zenhale Zimbus Breezhaler Quinixil Quinosone Mosaspray PMS-mometasone Elocon Up and Up Allergy Leader Nasal Asmanex Twisthaler Mometacure Sandoz Mometasone Childrens Nasonex Topcare Allergy Taro-mometasone Lotion Enerzair Breezhaler Asmanex Bemrist Breezhaler Mometasone Teva-mometasone Rugby mometasone furoate nasal
Indication	Inhaled mometasone furoate is indicated for prophylaxis of asthma in patients ≥4 years.[L9560] Applied topically as an ointment, mometasone furoate is indicated for symptomatic treatment of dermatitis and pruritis in patients ≥2 years.[L9590] Mometasone furoate nasal spray is available both over-the-counter (OTC) and by prescription. The OTC nasal spray formulation of mometasone furoate is indicated for the treatment of upper respiratory allergic symptoms (e.g. rhinorrhea, sneezing) in patients ≥2 years of age.[L42300] The prescription formulation is indicated for the treatment of chronic rhinosinusitis with nasal polyps in patients ≥18 year old and for the and prophylaxis of seasonal allergic rhinitis in patients ≥12 years old.[L9563] It is also approved in combination with [olopatadine] for the symptomatic treatment of seasonal allergic rhinitis in patients ≥12 years.[L39845]
Categories	Adrenal Cortex Hormones Adrenals Adrenergics, Inhalants Anti-Allergic Agents Anti-Inflammatory Agents Corticosteroids Corticosteroids, Dermatological Preparations Corticosteroids, Potent (Group III) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Drugs for Obstructive Airway Diseases Fused-Ring Compounds Glucocorticoids Hyperglycemia-Associated Agents Immunosuppressive Agents Nasal Preparations Pregnadienes Steroids Thyroxine-binding globulin inhibitors
ATC-Code	D07AC13 R03BA07 D07XC03 R01AD09 R03AK09
CAS number	83919-23-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glucocorticoid receptor	MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAV...	unknown
Progesterone receptor	MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSA...	unknown
Cytochrome P450 2C8	MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate,inducer
Cytochrome P450 3A5	MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNV...	unknown	inducer

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682