tenapanor (Ibsrela) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

1145.07

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc45)c6cc(Cl)cc(Cl)c6C1
  • InChIKey: DNHPDWGIXIMXSA-CXNSMIOJSA-N
    InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3304485   ChEMBL
tenapanor *

CHEMBL3301627   ChEMBL
tenapanor hydrochloride

WYD79216A6   NCATS
tenapanor *

Tenapanor   Wikipedia

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