eplerenone

eplerenone

CAS: 107724-20-9

Formula: C24H30O6

SMILES: COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13

IUPAC: methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0¹,¹?.0²,?.0¹¹,¹?]octadecan]-6'-ene-9'-carboxylate

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

Composition: C (69.55%), H (7.30%), O (23.16%)

Molar Mass: 414.498

Atom Count: 60

Heavy Atom Count: 30

Properties

Properties

Common Names	eplerenone; inspra
Aromatic Ring Count	0
Asymmetric Atom Count	8
Exact Mass	414.204238686
Formal Charge	0
FSP3	0.79
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JUKPWJGBANNWMW-VWBFHTRKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.68
Topological Polar Surface Area	82.2
Polarizability	42.67
Ring Count	6
Rotatable Bond Count	2

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