demecarium (humorsol) Report issue

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

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Chemistry

Mol. Mass

556.79

ALogP

6.76

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1
  • InChIKey: RWZVPVOZTJJMNU-UHFFFAOYSA-N
    InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201229   ChEMBL
demecarium *

CHEMBL1200514   ChEMBL
demecarium bromide

ILP8XJ8R5K   NCATS
demecarium *

Demecarium bromide   Wikipedia

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