triclobisonium Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

534.9862

ALogP

9.96

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(CCC1C(C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(C)CCCC2(C)C
  • InChIKey: YECRYLBCIYSJSO-UHFFFAOYSA-N
    1S/C36H74N2/c1-29-19-17-25-35(5,6)33(29)23-21-31(3)37(9,10)27-15-13-14-16-28-38(11,12)32(4)22-24-34-30(2)20-18-26-36(34,7)8/h29-34H,13-28H2,1-12H3/q+2
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110626   ChEMBL
triclobisonium

D75WGE9M1B   NCATS
triclobisonium *

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