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Betamethasone Impurity 109

CAT: 1299-RM-B201509-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B201509-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1203841-45-5
Synonyms
(8S,9R,10S,11S,13S,14S,16S,17R) -9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
Molecular Formula
C21H27FO4
Molecular Weight
362.44
Target Alternative Name
Betamethasone
Product Name Synonym
(8S,9R,10S,11S,13S,14S,16S,17R) -9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid

Chemical Information

Betamethasone Impurity 50
CAS Number1203841-45-5
PubChem CID175674124
IUPAC Name(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid
Molecular FormulaC21H27FO4
Molecular Weight362.4
XLogP2.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity742
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@@H]1C(=O)O)C)O)F)C
InChI
InChI=1S/C21H27FO4/c1-11-8-15-14-5-4-12-9-13(23)6-7-20(12,3)21(14,22)16(24)10-19(15,2)17(11)18(25)26/h6-7,9,11,14-17,24H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14-,15-,16-,17-,19-,20-,21-/m0/s1
InChIKey
VNEWQJPVNZRHHG-GZVNHGJHSA-N
Chemical Structure
2D Structure
2D structure of Betamethasone Impurity 50
CAS: 1203841-45-5
CID: 175674124
Formula: C21H27FO4
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass362.18933750
Monoisotopic Mass362.18933750
Topological Polar Surface Area74.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity742
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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