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Halobetasol Propionate

CAT: 0572-TRC-H102300-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H102300-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66852-54-8
Synonyms
BMY 30056; CGP 14458; Halobetasol propionate; Miracorten; Ulobetasol propionate; Ultravate; (6alpha,11beta,16beta)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-pregna-1,4-diene-3,20-dione
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
Molecular Formula
C25 H31 Cl F2 O5
Molecular Weight
484.96
InChI
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
Additionnal Information
IUPAC name: [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Halobetasol Propionate

Halobetasol Propionate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number66852-54-8
PubChem CID6918178
IUPAC Name[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H31ClF2O5
Molecular Weight485.0
XLogP3.7
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity964
SMILES
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl
InChI
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
BDSYKGHYMJNPAB-LICBFIPMSA-N
Chemical Structure
2D Structure
2D structure of Halobetasol Propionate
CAS: 66852-54-8
CID: 6918178
Formula: C25H31ClF2O5
MW: 485.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.0
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass484.1828081
Monoisotopic Mass484.1828081
Topological Polar Surface Area80.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity964
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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FH23728Halobetasol propionate
HY-B0878S-01Halobetasol propionate-d5
FH57683-01Halobetasol propionate-d3
HY-B0878R-01Halobetasol propionate (Standard)
AR-H01003-01Halobetasol-d3 Propionate

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