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Chemical structure of Canrenoate potassium

GC61982

Canrenoate potassium

Also known as potassium 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

Canrenoate (Aldadiene) potassium, a prodrug that releases canrenone, is a potent, competitive mineralocorticoid receptor (aldosterone receptor) antagonist

ChemicalCAS2181-04-6MW396.56FormulaC22H29KO4
CAS number
2181-04-6
Molecular weight
396.56
Formula
C22H29KO4
Solubility
Water : 100 mg/mL (252·17 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JTZQCHFUGHIPDF-RYVBEKKQSA-M
Catalogue number
GC61982
Brand
GLPBIO
Computed properties PubChem CID 23671691 · TPSA 77.4 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
77.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27

SMILES C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)[O-])O)C.[K+]

Computed descriptors from PubChem (CID 23671691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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