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Eplerenone Impurity 32

CAT: 1596-AR-E10120-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10120-06Size:250 Units
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CAS Number
209253-58-7
Molecular Formula
C23H29NO4
Molecular Weight
383.49
API Name
Eplerenone

Chemical Information

Eplerenone Impurity 46
CAS Number209253-58-7
PubChem CID178246042
IUPAC Name(7R,8R,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carbonitrile
Molecular FormulaC23H29NO4
Molecular Weight383.5
XLogP0.9
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity839
SMILES
C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O)C#N
InChI
InChI=1S/C23H29NO4/c1-21-6-3-15(25)10-14(21)9-13(12-24)19-16-4-7-23(8-5-18(27)28-23)22(16,2)11-17(26)20(19)21/h10,13,16-17,19-20,26H,3-9,11H2,1-2H3/t13-,16-,17+,19-,20-,21-,22-,23+/m0/s1
InChIKey
GYZJFACMFWJXEO-XYZRFCLJSA-N
Chemical Structure
2D Structure
2D structure of Eplerenone Impurity 46
CAS: 209253-58-7
CID: 178246042
Formula: C23H29NO4
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass383.20965841
Monoisotopic Mass383.20965841
Topological Polar Surface Area87.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity839
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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