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Dexamethasone cipecilate

CAT: 0931-T27153Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T27153Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132245-57-9
Target
Others, Glucocorticoid Receptor
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
Dexamethasone cipecilate is a long-acting intranasal corticosteroid and a highly lipophilic anti-inflammatory corticosteroid.
Smiles
O(C(=O)C1CC1)[C@@]2(C(COC(=O)C3CCCCC3)=O)[C@]4(C)[C@@](C[C@H]2C)([C@]5([C@](F)([C@@H](O)C4)[C@]6(C)C(CC5)=CC(=O)C=C6)[H])[H]
Molecular Formula
C33H43FO7
Molecular Weight
570.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dexamethasone Cipecilate

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate is a corticosteroid hormone.

CAS Number132245-57-9
PubChem CID15159004
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate
Molecular FormulaC33H43FO7
Molecular Weight570.7
XLogP5.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1210
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)COC(=O)C5CCCCC5)OC(=O)C6CC6)C)O)F)C
InChI
InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1
InChIKey
JPTKVJWWVFLEJL-GVPGRCOTSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone Cipecilate
CAS: 132245-57-9
CID: 15159004
Formula: C33H43FO7
MW: 570.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight570.7
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass570.29928187
Monoisotopic Mass570.29928187
Topological Polar Surface Area107 Ų
Heavy Atom Count41
Formal Charge0
Complexity1210
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