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Eplerenone

CAT: 0127-OR1027366-05Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1027366-05Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107724-20-9
Synonyms
Methyl (1R,2S,9R,10R,11S,14R,15S,17R) -2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
Purity
99%
Smiles
C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC

Chemical Information

Eplerenone

Eplerenone is an epoxy steroid, a methyl ester, a gamma-lactone, an oxaspiro compound, an organic heteropentacyclic compound, a steroid acid ester and a 3-oxo-Delta(4) steroid. It has a role as an antihypertensive agent and an aldosterone antagonist. It derives from a hydride of a pregnane.

CAS Number107724-20-9
PubChem CID443872
IUPAC Namemethyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
Molecular FormulaC24H30O6
Molecular Weight414.5
XLogP1.4
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity907
SMILES
C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC
InChI
InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
InChIKey
JUKPWJGBANNWMW-VWBFHTRKSA-N
Chemical Structure
2D Structure
2D structure of Eplerenone
CAS: 107724-20-9
CID: 443872
Formula: C24H30O6
MW: 414.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass414.20423867
Monoisotopic Mass414.20423867
Topological Polar Surface Area82.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity907
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

Alternative Products

CatalogName
sc-203943Eplerenone
RM-E181400-01(+) -Eplerenone

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