tedisamil sesquifumarate Report issue

Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

925.17

ALogP

3.23

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
  • InChIKey: AZPYPAVFNGFTGB-ORRJWUSCSA-N
    InChI=1S/2C19H32N2.3C4H4O4/c2*1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16;3*5-3(6)1-2-4(7)8/h2*15-18H,1-14H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*17-,18+;;;
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107378   ChEMBL
tedisamil sesquifumarate *

CHEMBL113461   ChEMBL
tedisamil

CHEMBL2111110   ChEMBL
tedisamil

CHEMBL2146111   ChEMBL

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