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Chemistry

Mol. Mass

358.48

ALogP

3.89

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(=O)O
  • InChIKey: PBKZPPIHUVSDNM-WNHSNXHDSA-N
    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)/t16-,17+,18+,20+,21+,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1616951   ChEMBL
canrenoate *

CHEMBL1371200   ChEMBL
canrenoate potassium

Potassium canrenoate   Wikipedia

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