methylnaltrexone (relistor) Report issue

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

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Chemistry

Mol. Mass

356.44

ALogP

1.67

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[N+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CCC5=O)c46
  • InChIKey: JVLBPIPGETUEET-GAAHOAFPSA-O
    InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1186579   ChEMBL
methylnaltrexone *

CHEMBL1201770   ChEMBL
methylnaltrexone bromide

0RK7M7IABE   NCATS
methylnaltrexone *

Methylnaltrexone   Wikipedia

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