Canrenoic acid potassium salt

Structure and identifiers

Imported compound names

Canrenoic acid potassium saltFlucanozole Synergizer · compound_name

MolClass ID

1762

InChIKey

PBKZPPIHUVSDNM-WNHSNXHDSA-M

Canonical SMILES

CC34(CCC(=O)C=C4(C=CC2C3(CCC1(C)(C2(CCC1(O)(CCC(=O)[O-]))))))

Standard InChI

InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/p-1/t16-,17+,18+,20+,21+,22-/m1/s1

Stored Murcko scaffold

C=1[CH]CCC2C1C=CC3C2CCC4CCCC34

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

• Dydrogesterone#1882
• Megestrol acetate#1932
• Nomegestrol acetate#1999
• MEGESTROL ACETATE#2070
• CANRENOIC ACID, POTASSIUM SALT#2234
• 103333818#25299
• CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C#155069
• CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O#155094
• CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4C3CCC21C)C(C)=O#155139
• [K+].[O-]C(=O)CCC1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C#155434
• CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O#156114

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors

4

CDK 2.12 · 2026-08-19

Hydrogen bond donors

1

CDK 2.12 · 2026-08-19

Rotatable bonds

3

CDK 2.12 · 2026-08-19

Topological polar surface area

77.43 Ų

CDK 2.12 · 2026-08-19

Molecular weight

357.464 g/mol

CDK 2.12 · 2026-08-19

XLogP

2.928

CDK 2.12 · 2026-08-19

Source datasets

Dataset registrations and identifiers stored in MolClass.

• Flucanozole Synergizer

  Dataset #3 · Canrenoic acid potassium salt