Identification
| Name |
Tenapanor HCl |
|---|
| Synonyms |
3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(26-((3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)sulfonamido)-10,17-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosyl)benzenesulfonamide dihydrochloride; AZD-1722; AZD 1722; AZD1722; RDX 5791; RDX-5791 |
|
| Molecular Structure |
 |
| Molecular Formula |
C50H68Cl6N8O10S2 |
| Molecular Weight |
1217.90 |
| CAS Registry Number |
1234365-97-9 |
| SMILES |
O=S(C1=CC=CC([C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)=C1)(NCCOCCOCCNC(NCCCCNC(NCCOCCOCCNS(=O)(C4=CC=CC([C@@H]5CN(C)CC6=C5C=C(Cl)C=C6Cl)=C4)=O)=O)=O)=O.[H]Cl.[H]Cl |
| InChI |
1S/C50H66Cl4N8O10S2.2ClH/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);2*1H/t43-,44-;;/m0../s1 |
| InChIKey |
VFRAXTZDILCRKY-OWRGXFNZSA-N |
|
