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Mometasone furoate

CAT: 0607-B1979-SSize: Evaluation SampleDry Ice: NoHazardous: No
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CAT#:0607-B1979-SSize:Evaluation Sample
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Description
glucocorticoid receptor agonist
CAS Number
83919-23-7
Product Name Alternative
[(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
Purity
0.9874
Form
A solid
Solubility
insoluble in H2O; ≥14.25 mg/mL in DMSO; ≥5.46 mg/mL in EtOH with ultrasonic
Smiles
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
Molecular Formula
C27H30Cl2O6
Molecular Weight
521.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Mometasone Furoate

Mometasone furoate is an 11beta-hydroxy steroid, an organochlorine compound, a 20-oxo steroid, a steroid ester, a 2-furoate ester and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an anti-inflammatory drug and an anti-allergic agent. It is functionally related to a mometasone.

CAS Number83919-23-7
PubChem CID441336
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
Molecular FormulaC27H30Cl2O6
Molecular Weight521.4
XLogP3.9
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity1020
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
InChI
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
WOFMFGQZHJDGCX-ZULDAHANSA-N
Chemical Structure
2D Structure
2D structure of Mometasone Furoate
CAS: 83919-23-7
CID: 441336
Formula: C27H30Cl2O6
MW: 521.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass520.1419441
Monoisotopic Mass520.1419441
Topological Polar Surface Area93.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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