EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C30H39FN4O4.HCl.H2O |
| Net Charge | 0 |
| Average Mass | 593.140 |
| Monoisotopic Mass | 592.28278 |
| SMILES | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1.Cl.O |
| InChI | InChI=1S/C30H39FN4O4.ClH.H2O/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19;;/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36);1H;1H2/t19-,20-,25-,27+;;/m1../s1 |
| InChIKey | ZWIXEQBDJMFCMN-DHHNQDMHSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | gastrointestinal drug A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ulimorelin hydrochloride (CHEBI:750293) has role gastrointestinal drug (CHEBI:55324) |
| ulimorelin hydrochloride (CHEBI:750293) is a oligopeptide (CHEBI:25676) |
| Synonyms | Source |
|---|---|
| TZP-101 | ChEMBL |
| Ulimorelin hydrochloride | ChEMBL |
| Ulimorelin hydrochloride monohydrate | ChEMBL |
| Citations |
|---|