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Beclomethasone 21-Acetate

CAT: 1596-AR-B05439-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B05439-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4735-64-2
Synonyms
21- (Acetyloxy) -9-chloro-11?,17,21-trihydroxy-16?-methylpregna-1,4-diene-3,20-dione; 2- ((8S,9R,10S,11S,13S,14S,16S,17R) -9-Chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-; (11beta,16beta) -21- (Acetyloxy) -9-chloro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Molecular Formula
C24H31ClO6
Molecular Weight
450.95
API Name
Beclomethasone

Chemical Information

Beclomethasone 21-acetate
CAS Number4735-64-2
PubChem CID22810903
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC24H31ClO6
Molecular Weight450.9
XLogP3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity910
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)C)O)C)O)Cl)C
InChI
InChI=1S/C24H31ClO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
InChIKey
XHCFMNLEYHEXKU-QZIXMDIESA-N
Chemical Structure
2D Structure
2D structure of Beclomethasone 21-acetate
CAS: 4735-64-2
CID: 22810903
Formula: C24H31ClO6
MW: 450.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass450.1809164
Monoisotopic Mass450.1809164
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity910
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

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CatalogName
FB18153-01Beclomethasone 21-acetate 17-propionate
262171-01Beclomethasone 21-propionate
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sc-49927721- (1-Ethoxyethyl) Beclomethasone
003186Beclomethasone 11,21-Ditrifluoroacetate
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