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CHEBI:748789 - ibodutant
| Formula | C37H48N4O4S |
| Net Charge | 0 |
| Average Mass | 644.882 |
| Monoisotopic Mass | 644.33963 |
| SMILES | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1 |
| InChI | InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1 |
| InChIKey | YQYSVMKCMIUCHY-WJOKGBTCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | 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) |
| ibodutant (CHEBI:748789) has role antispasmodic drug (CHEBI:53784) |
| ibodutant (CHEBI:748789) is a dipeptide (CHEBI:46761) |
| INN | Source |
|---|---|
| ibodutant | WHO MedNet |
| Synonym | Source |
|---|---|
| Men15596 | ChEMBL |
| Citations |
|---|