Name: Tenapanor
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212035857
Cas No:1234423-95-0
常用名:Tenapanor
别名:Tenapanor free base, RDX-5791, RDX5791, RDX 5791, AZD-1722, AZD1722, AZD 1722
别名:Tenapanor free base, RDX-5791, RDX5791, RDX 5791, AZD-1722, AZD1722, AZD 1722
IUPAC:3-{2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}-1-{4-[({2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}carbamoyl)amino]butyl}urea
IUPAC:3-{2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}-1-{4-[({2-[2-(2-{3-[(4S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzenesulfonamido}ethoxy)ethoxy]ethyl}carbamoyl)amino]butyl}urea
InChI key:DNHPDWGIXIMXSA-CXNSMIOJSA-N

分子式:C50H66Cl4N8O10S2
分子量:1145.04
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:4.792373
SMILES:CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
SMILES:CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1

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