tolvaptan (samsca) Report issue

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

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Chemistry

Mol. Mass

448.941

ALogP

5.68

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=CC=CC=C1C(=O)NC2=CC=C(C(=O)N3CCCC(O)C4=CC(Cl)=CC=C34)C(C)=C2
  • InChIKey: GYHCTFXIZSNGJT-UHFFFAOYSA-N
    1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL344159   ChEMBL
tolvaptan

21G72T1950   NCATS
tolvaptan *

Tolvaptan   Wikipedia

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