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Dexamethasone Impurity 12

CAT: 1596-AR-D05788-02Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-D05788-02Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116522-68-0
Synonyms
2- ((8S,9R,10S,11S,13S,14S,16S,17R) -9-fluoro-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-oxoacetic acid
Molecular Formula
C22H27FO6
Molecular Weight
406.44
API Name
Dexamethasone

Chemical Information

Betamethasone Impurity N22
CAS Number116522-68-0
PubChem CID22799453
IUPAC Name2-[(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-oxoacetic acid
Molecular FormulaC22H27FO6
Molecular Weight406.4
XLogP2.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity879
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)C(=O)O)O)C)O)F)C
InChI
InChI=1S/C22H27FO6/c1-11-8-15-14-5-4-12-9-13(24)6-7-19(12,2)21(14,23)16(25)10-20(15,3)22(11,29)17(26)18(27)28/h6-7,9,11,14-16,25,29H,4-5,8,10H2,1-3H3,(H,27,28)/t11-,14-,15-,16-,19-,20-,21-,22-/m0/s1
InChIKey
HJQXVITYEPBWQP-FBFQMJTBSA-N
Chemical Structure
2D Structure
2D structure of Betamethasone Impurity N22
CAS: 116522-68-0
CID: 22799453
Formula: C22H27FO6
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass406.17916674
Monoisotopic Mass406.17916674
Topological Polar Surface Area112 Ų
Heavy Atom Count29
Formal Charge0
Complexity879
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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