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Chemical structure of Tenapanor

GC19352

Tenapanor

Also known as 1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea

Tenapanor is an inhibitor of the Na+/H+ exchanger NHE3 with IC50 values of 5 and 10 nM against human and Rat NHE3, respectively

ChemicalCAS1234423-95-0MW1145.05FormulaC50H66Cl4N8O10S2
CAS number
1234423-95-0
Molecular weight
1145.05
Formula
C50H66Cl4N8O10S2
Solubility
DMSO : 50 mg/mL (43·67 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
DNHPDWGIXIMXSA-CXNSMIOJSA-N
Catalogue number
GC19352
Brand
GLPBIO
Computed properties PubChem CID 71587953 · XLogP 5.1 · TPSA 235 Ų · H-bond donors 6
XLogP
5.1
TPSA
235 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
29
Heavy atoms
74

SMILES CN1C[C@H](C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)[C@@H]5CN(CC6=C5C=C(C=C6Cl)Cl)C

Computed descriptors from PubChem (CID 71587953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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