Clocortolone Pivalate

CAT: 0572-TRC-C583810-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C583810-5MGSize:5 mg

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CAS Number

34097-16-0

Synonyms

CL 68; Clocortolone pivalate; Clocortolone trimethylacetate; Cloderm; Purantix; SH 863; (6alpha,11beta,16alpha)-9-Chloro-21-(2,2-dimethyl-1-oxopropoxy)-6-fluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methyl-, 21-pivalate (8CI); 9-Chloro-6alpha-fluoro, 11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C

Molecular Formula

C27 H36 Cl F O5

Molecular Weight

495.02

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

Additionnal Information

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

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

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 Number	34097-16-0
PubChem CID	5282493
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 Formula	C27H36ClFO5
Molecular Weight	495.0
XLogP	4.5
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	982

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

InChIKey

SXYZQZLHAIHKKY-GSTUPEFVSA-N

Chemical Structure

2D Structure

CAS: 34097-16-0

CID: 5282493

Formula: C27H36ClFO5

MW: 495.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	495.0
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	494.2235301
Monoisotopic Mass	494.2235301
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	982
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-C583800-10MG	Clocortolone
TRC-C583800-1MG	Clocortolone
TRC-C583815-75MG	Clocortolone Caproate
TRC-C583820-1MG	Clocortolone Acetate
TRC-C583802-100MG	Clocortolone-d3
TRC-C583820-10MG	Clocortolone Acetate
TRC-C583820-25MG	Clocortolone Acetate
TRC-C583803-25MG	Clocortolone-13C,D5
TRC-D229170-2.5MG	21-Dehydro Clocortolone
TRC-C583825-5MG	6-(R)-Clocortolone

Alternative Products

Catalog	Name
T72391-01	Clocortolone pivalate
HY-106714R	Clocortolone pivalate (Standard)
268631-01	Clocortolone
FC45165-01	Clocortolone caproate
444883-01	Clocortolone Acetate
LCA74429-01	21-Dehydro clocortolone

Clocortolone Pivalate

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