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Clocortolone Pivalate

CAT: 0024-sc-501497Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-501497Size:1 mg
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CAS Number
34097-16-0

Chemical Information

Clocortolone Pivalate

Clocortolone pivalate is the 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders. It has a role as an anti-inflammatory drug and an antipruritic drug. It is a glucocorticoid, an 11beta-hydroxy steroid, a 20-oxo steroid, a pivalate ester, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It is functionally related to a clocortolone.

CAS Number34097-16-0
PubChem CID5282493
IUPAC Name[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Molecular FormulaC27H36ClFO5
Molecular Weight495.0
XLogP4.5
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity982
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@H]1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F
InChI
InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
InChIKey
SXYZQZLHAIHKKY-GSTUPEFVSA-N
Chemical Structure
2D Structure
2D structure of Clocortolone Pivalate
CAS: 34097-16-0
CID: 5282493
Formula: C27H36ClFO5
MW: 495.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.0
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass494.2235301
Monoisotopic Mass494.2235301
Topological Polar Surface Area80.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity982
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

Related Products

CatalogName
sc-474527Clocortolone Acetate
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sc-239529Chloromethyl pivalate
sc-239529BChloromethyl pivalate
sc-227589Cesium pivalate
sc-278926Desoxycorticosterone pivalate
sc-235147Flumethasone pivalate
sc-496761Fluocortolone pivalate
sc-358225AEthyl pivalate
sc-394090Iodomethyl Pivalate

Alternative Products

CatalogName
T72391-01Clocortolone pivalate
HY-106714RClocortolone pivalate (Standard)
268631-01Clocortolone
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