drospirenone

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Ligands
drospirenone

GtoPdb Ligand ID: 2874

Synonyms: dihydrospirorenone | Slynd® | Yasmin® | ZK30595

drospirenone is an approved drug

Comment: Drospirenone is a synthetic analogue of spironolactone, that has a similar pharmacological profile to endogenous progesterone. As a contraceptive agent it is used for its progestin-like activity, but it also has anti-androgen and anti-mineralocorticoid properties.

drospirenone is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	0
Rotatable bonds	0
Topological polar surface area	43.37
Molecular weight	366.22
XLogP	4.35
No. Lipinski's rules broken	0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C
Isomeric SMILES	O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C
InChI	InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
InChI Key	METQSPRSQINEEU-HXCATZOESA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)