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Dexamethasone Sodium Phosphate Impurity B

CAT: 1596-AR-D01605-01Size: 150Dry Ice: NoHazardous: No
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CAS Number
151-73-5
Synonyms
(11β,16β) -9-Fluoro-11,17-dihydroxy-16-methyl-21- (phosphonooxy) pregna-1,4-diene-3,20-dione Sodium Salt
Molecular Formula
C22H28FO8P; 2Na
Molecular Weight
470.45; 2 (22.99)
API Name
Dexamethasone

Chemical Information

Betamethasone Sodium Phosphate

Betamethasone sodium phosphate is an organic sodium salt that is the disodium salt of betamethasone phosphate. It is a tertiary alpha-hydroxy ketone and an organic sodium salt. It contains a betamethasone phosphate(2-).

CAS Number151-73-5
PubChem CID65478
IUPAC Namedisodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
Molecular FormulaC22H28FNa2O8P
Molecular Weight516.4
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity961
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)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
InChI
InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
InChIKey
PLCQGRYPOISRTQ-LWCNAHDDSA-L
Chemical Structure
2D Structure
2D structure of Betamethasone Sodium Phosphate
CAS: 151-73-5
CID: 65478
Formula: C22H28FNa2O8P
MW: 516.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass516.13012157
Monoisotopic Mass516.13012157
Topological Polar Surface Area147 Ų
Heavy Atom Count34
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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