(+)-Eplerenone

C₂₄H₃₀O₆CAS 107724-20-9414.50 g/mol

Open in Covalent MOL file

Alkene Epoxide Ester Ether Ketone Lactone

Properties

Molecular formula: C₂₄H₃₀O₆
Molar mass: 414.50 g/mol
Exact mass: 414.2042 Da
Melting point: 242–244 °C
Water solubility: slightly soluble
logP: 3.12Crippen estimate
Polar surface area: 82.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 1
Stereocentres: R, S, R, R, S, S, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H332 Harmful if inhaled25% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

107724-20-9

SMILES

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13

InChIKey

JUKPWJGBANNWMW-VWBFHTRKSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, γ-lactone, 7-methyl ester, (7α,11α,17α)-
Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, γ-lactone, methyl ester, (7α,11α,17α)-
Spiro[9,11-epoxy-9H-cyclopenta[a]phenanthrene-17(2H),2′(3′H)-furan], pregn-4-ene-7,21-dicarboxylic acid deriv.
CGP 30083
SC 66110
Eplerenone
SC 6110
Epoxymexrenone
Inspra
Selara

Work with (+)-Eplerenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11α-Hydroxymexrenone192704-56-662 % similar δ9,11-Eplerenone95716-70-456 % similar Spironolactone52-01-743 % similar 11α-Hydroxycanrenone192569-17-843 % similar Canrenone976-71-642 % similar Drospirenone67392-87-435 % similar Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-234 % similar Fluoxymesterone76-43-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bis(3,4-dimethylbenzylidene) sorbitol135861-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook