hexocyclium methylsulfate (tral) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

317.5

ALogP

2.85

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
  • InChIKey: ZRYHPQCHHOKSMD-UHFFFAOYSA-N
    InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201325   ChEMBL
hexocyclium *

CHEMBL1626570   ChEMBL
hexocyclium methylsulfate

LL3147PI1T   NCATS
hexocyclium *

Hexocyclium   Wikipedia

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