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Flumethasone pivalate

CAT: 0804-HY-107949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107949-01Size:1 mg
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Description
Flumethasone pivalate is a glucocorticoid corticosteroid and a corticosteroid ester. Flumetasone pivalate has anti-inflammatory, antipruritic, and vasoconstrictive activities[1].
CAS Number
2002-29-1
Product Name Alternative
Flumethasone 21-pivalate; Locacorten; Locorten
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Glucocorticoid Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/flumethasone-pivalate.html
Purity
98.17
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@](C[C@@H](C)[C@]2(O)C(COC(C(C)(C)C)=O)=O)([H])[C@@]3([H])[C@@](F)([C@@]4(C([C@@H](F)C3)=CC(C=C4)=O)C)[C@@H](O)C1
Molecular Formula
C27H36F2O6
Molecular Weight
494.57
Precautions
H302, H315, H319, H335
References & Citations
[1]Mandour, A.A., et al. Review on analytical studies of some pharmaceutical compounds containing heterocyclic rings: brinzolamide, timolol maleate, flumethasone pivalate, and clioquinol. Futur J Pharm Sci 6, 52 (2020) .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Flumethasone Pivalate

Flumethasone pivalate is a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a pivalate ester, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an anti-inflammatory drug and an antipruritic drug. It is functionally related to a flumethasone.

CAS Number2002-29-1
PubChem CID443980
IUPAC Name[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Molecular FormulaC27H36F2O6
Molecular Weight494.6
XLogP3.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity1030
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F
InChI
InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1
InChIKey
JWRMHDSINXPDHB-OJAGFMMFSA-N
Chemical Structure
2D Structure
2D structure of Flumethasone Pivalate
CAS: 2002-29-1
CID: 443980
Formula: C27H36F2O6
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass494.24799519
Monoisotopic Mass494.24799519
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3615934-01Flumethasone pivalate
FF23329-01Flumethasone 21-pivalate
450149Flumethasone 21-Pivalate-d3
RM-F121702-01Flumetasone Pivalate EP Impurity B (Flumethasone-17-Acetate)
GA2414-1gFlumethasone

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