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Dexamethasone Acetate EP Impurity I

CAT: 1596-AR-D02008-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02008-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3949-26-6
Synonyms
Dexamethasone 11,21-diacetate; (11?,16?) -1,21-bis (acetyloxy) -9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione
Molecular Formula
C26H33FO7
Molecular Weight
476.54
API Name
Dexamethasone

Chemical Information

Dexamethasone 11,21-diacetate
CAS Number3949-26-6
PubChem CID15219297
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-11-acetyloxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC26H33FO7
Molecular Weight476.5
XLogP3.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity1020
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)COC(=O)C)O)C)OC(=O)C)F)C
InChI
InChI=1S/C26H33FO7/c1-14-10-20-19-7-6-17-11-18(30)8-9-23(17,4)25(19,27)22(34-16(3)29)12-24(20,5)26(14,32)21(31)13-33-15(2)28/h8-9,11,14,19-20,22,32H,6-7,10,12-13H2,1-5H3/t14-,19+,20+,22+,23+,24+,25+,26+/m1/s1
InChIKey
GTECTIGXIMGLJQ-YIEQOVFOSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone 11,21-diacetate
CAS: 3949-26-6
CID: 15219297
Formula: C26H33FO7
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass476.22103155
Monoisotopic Mass476.22103155
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity1020
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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