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Betamethasone Impurity 108

CAT: 1299-RM-B201508-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B201508-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1257544-84-5
Synonyms
2- ((8S,9R,10S,11S,13S,14S,16S,17S) -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]phenanthren-17-yl) -2-oxoacetic acid
Molecular Formula
C22H27FO5
Molecular Weight
390.45
Target Alternative Name
Betamethasone
Product Name Synonym
2- ((8S,9R,10S,11S,13S,14S,16S,17S) -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]phenanthren-17-yl) -2-oxoacetic acid

Chemical Information

Betamethasone Impurity 49
CAS Number1257544-84-5
PubChem CID175674127
IUPAC Name2-[(8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid
Molecular FormulaC22H27FO5
Molecular Weight390.4
XLogP2.7
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity831
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)C(=O)O)C)O)F)C
InChI
InChI=1S/C22H27FO5/c1-11-8-15-14-5-4-12-9-13(24)6-7-21(12,3)22(14,23)16(25)10-20(15,2)17(11)18(26)19(27)28/h6-7,9,11,14-17,25H,4-5,8,10H2,1-3H3,(H,27,28)/t11-,14-,15-,16-,17+,20-,21-,22-/m0/s1
InChIKey
CHLBNXRTRATBRL-DWIBIPDISA-N
Chemical Structure
2D Structure
2D structure of Betamethasone Impurity 49
CAS: 1257544-84-5
CID: 175674127
Formula: C22H27FO5
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass390.18425212
Monoisotopic Mass390.18425212
Topological Polar Surface Area91.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity831
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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