EMBL-EBI | Chemical Biology | ChEBI
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| Formula | HCl.C50H66Cl4N8O10S2.HCl |
| Net Charge | 0 |
| Average Mass | 1217.992 |
| Monoisotopic Mass | 1214.26310 |
| SMILES | Cl.Cl.[H][C@@]1(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@]4([H])CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)CN(C)Cc2c(Cl)cc(Cl)cc21 |
| InChI | 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 |
| Roles Classification |
|---|
| Applications: | laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tenapanor hydrochloride (CHEBI:755304) has role antispasmodic drug (CHEBI:53784) |
| tenapanor hydrochloride (CHEBI:755304) has role laxative (CHEBI:50503) |
| tenapanor hydrochloride (CHEBI:755304) is a isoquinolines (CHEBI:24922) |
| Synonyms | Source |
|---|---|
| AZD1722 | ChEMBL |
| AZD1722 hydrochloride | ChEMBL |
| AZD-1722 HYDROCHLORIDE | ChEMBL |
| RDX-5791 | ChEMBL |
| RDX5791 | ChEMBL |
| Tenapanor dihydrochloride | ChEMBL |
| Brand Name | Source |
|---|---|
| Ibsrela | ChEMBL |