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Halobetasol

CAT: 1299-RM-H120500-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H120500-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98651-66-2
Synonyms
(6S,8S,9R,10S,11S,13S,14S,16S,17R) -17- (2-chloroacetyl) -6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H27ClF2O4
Molecular Weight
428.9
Target Alternative Name
Halobetasol
Product Name Synonym
(6S,8S,9R,10S,11S,13S,14S,16S,17R) -17- (2-chloroacetyl) -6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

Halobetasol

Halobetasol is a corticosteroid hormone.

CAS Number98651-66-2
PubChem CID5311167
IUPAC Name(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H27ClF2O4
Molecular Weight428.9
XLogP2.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity843
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)CCl)O)C)O)F)C)F
InChI
InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey
LEHFPXVYPMWYQD-XHIJKXOTSA-N
Chemical Structure
2D Structure
2D structure of Halobetasol
CAS: 98651-66-2
CID: 5311167
Formula: C22H27ClF2O4
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass428.1565934
Monoisotopic Mass428.1565934
Topological Polar Surface Area74.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity843
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

Alternative Products

CatalogName
TRC-H102290-100MGHalobetasol
FH23728Halobetasol propionate
TRC-H102292-50MGHalobetasol-d3
HY-113783RHalobetasol (Standard)

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