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Betamethasone EP Impurity C

CAT: 1299-RM-B201303-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B201303-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13504-15-9
Synonyms
(8S,10S,13S,14S,16S,17R) -17-hydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H28O4
Molecular Weight
356.46
Target Alternative Name
Betamethasone
Product Name Synonym
(8S,10S,13S,14S,16S,17R) -17-hydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
CAS Number13504-15-9
PubChem CID395352
IUPAC Name(8S,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H28O4
Molecular Weight356.5
XLogP2.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity775
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C
InChI
InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18-,20-,21-,22-/m0/s1
InChIKey
ZYTXTXAMMDTYDQ-AKXKBWEISA-N
Chemical Structure
2D Structure
2D structure of 17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
CAS: 13504-15-9
CID: 395352
Formula: C22H28O4
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass356.19875937
Monoisotopic Mass356.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity775
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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