metocurine iodide (metubine) Report issue

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

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Chemistry

Mol. Mass

652.83

ALogP

7.45

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3
  • InChIKey: JFXBEKISTKFVAB-AJQTZOPKSA-N
    InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1259   ChEMBL
metocurine *

CHEMBL1739   ChEMBL
metocurine iodide

CHEMBL2105841   ChEMBL
dimethyltubocurarinium chloride

V0M92G2U26   NCATS
metocurine *

Metocurine   Wikipedia

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