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Potassium canrenoate

CAT: 0024-sc-205812ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-205812ASize:5 g
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CAS Number
2181-04-6

Chemical Information

Canrenoate Potassium

See also: Canrenoic Acid (has active moiety).

CAS Number2181-04-6
PubChem CID23671691
IUPAC Namepotassium 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
Molecular FormulaC22H29KO4
Molecular Weight396.6
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity713
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+]
InChI
InChI=1S/C22H30O4.K/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);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/m1./s1
InChIKey
JTZQCHFUGHIPDF-RYVBEKKQSA-M
Chemical Structure
2D Structure
2D structure of Canrenoate Potassium
CAS: 2181-04-6
CID: 23671691
Formula: C22H29KO4
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass396.17029089
Monoisotopic Mass396.17029089
Topological Polar Surface Area77.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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A8506-5000Potassium Canrenoate
T3096Canrenoate potassium
HY-B1582A-01Canrenoate (potassium)
165994-01Potassium Pyrosulfate (Potassium Disulfate)
OR1100324-01Potassium but-2-ynedioate (potassium)
C0194Potassium
3120435Aluminium potassium sulphate (Potassium alum)
P7392-01Potassium Dihydrogen Phosphate; Potassium Phosphate Monoba
HY-B2216RPotassium hydrogen L-tartrate (potassium) (Standard)
3125150Sodium potassium tartrate (Potassium sodium tartrate)

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