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Chemistry

Mol. Mass

885.24

ALogP

4.16

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O
  • InChIKey: PCIOHQNIRPWFMV-WXXKFALUSA-N
    InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2355456   ChEMBL
ibutilide fumarate *

CHEMBL1200564   ChEMBL

CHEMBL533   ChEMBL
ibutilide

2436VX1U9B   NCATS
ibutilide *

Ibutilide   Wikipedia

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