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Beclomethasone Dipropionate EP Impurity I

CAT: 1596-AR-B01073-01Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-B01073-01Size:150
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CAS Number
52092-12-3
Synonyms
2-oxo-2- ((8S,10S,13S,14S,16S,17R) -10,13,16-trimethyl-3-oxo-17- (propionyloxy) -6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl) ethyl propionate; (16?) -16-Methyl-17,21-bis (1-oxopropoxy) pregna-1,4,9 (11) -triene-3,20-dione
Molecular Formula
C28H36O6
Molecular Weight
468.59
API Name
Beclomethasone

Chemical Information

16beta-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
CAS Number52092-12-3
PubChem CID12790154
IUPAC Name[2-oxo-2-[(8S,10S,13S,14S,16S,17R)-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] propanoate
Molecular FormulaC28H36O6
Molecular Weight468.6
XLogP4.2
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity1020
SMILES
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)C)OC(=O)CC
InChI
InChI=1S/C28H36O6/c1-6-24(31)33-16-23(30)28(34-25(32)7-2)17(3)14-22-20-9-8-18-15-19(29)10-12-26(18,4)21(20)11-13-27(22,28)5/h10-12,15,17,20,22H,6-9,13-14,16H2,1-5H3/t17-,20+,22-,26-,27-,28-/m0/s1
InChIKey
KNGUDUPXAJGVDW-RILJZRPXSA-N
Chemical Structure
2D Structure
2D structure of 16beta-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
CAS: 52092-12-3
CID: 12790154
Formula: C28H36O6
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass468.25118886
Monoisotopic Mass468.25118886
Topological Polar Surface Area86.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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