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Mometasone furoate(CAS No. 83919-23-7)

Mometasone furoate C27H30Cl2O6 (cas 83919-23-7) Molecular Structure

83919-23-7 Structure

Identification and Related Records

【Name】
Mometasone furoate
【Iupac name】
[(8S,9R,10S,11S,13S,14S,16R,
17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,
7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]
furan-2-carboxylate
【CAS Registry number】
83919-23-7
【Synonyms】
Elocon (TN)
Rimelon
Ecural
9,21-Dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17-(2-furoate)
Nosorex
Sch 32088
[(9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Elocone
Mometasone furoate [USAN:JAN]
Pregna-1,4-diene-3,20-dione,9,21-dichloro- 17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16- methyl-,(11a,16R)-
Danitin
Elocon
Mometasone furoate (JAN/USP)
Flumeta
Nasonex
【Molecular Formula】
C27H30Cl2O6 (Products with the same molecular formula)
【Molecular Weight】
521.44
【Inchi】
InChI=1/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
【Canonical SMILES】
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
【Isomers smiles】
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)C5=CC=CO5)C)O)Cl)C
【MOL File】
83919-23-7.mol

Chemical and Physical Properties

【Appearance】
Distributed as 0.1% ointment with a petrolatum base.
【Density】
1.37 g/cm3
【Melting Point】
218-220oC
【Boiling Point】
655.5 oC at 760 mmHg
【Refractive Index】
1.604
【Flash Point】
350.2oC
【Solubilities】
Insoluble
【Stability】
Stable if stored as directed.
【Storage temp】
Keep container tightly sealed. Store in cool, dry conditions in well sealed containers.
【Computed Properties】
Molecular Weight:521.4295 [g/mol]
Molecular Formula:C27H30Cl2O6
XLogP3:3.9
H-Bond Donor:1
H-Bond Acceptor:6
Rotatable Bond Count:5
Tautomer Count:6
Exact Mass:520.141944
MonoIsotopic Mass:520.141944
Topological Polar Surface Area:93.8
Heavy Atom Count:35
Formal Charge:0
Complexity:1020
Isotope Atom Count:0
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Ring Count:5
Effective Rotor Count:6.4
Conformer Sampling RMSD:1
CID Conformer Count:3

Use and Manufacturing

【Usage】

A topical corticosteroid used as an anti-inflammatory

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
- Substances that reduce or suppress INFLAMMATION.

Supplier Location

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