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CHEBI:755333 - telotristat etiprate
| Formula | C9H9NO3.C27H26ClF3N6O3 |
| Net Charge | 0 |
| Average Mass | 754.166 |
| Monoisotopic Mass | 753.22894 |
| SMILES | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1 |
| InChI | InChI=1S/C27H26ClF3N6O3.C9H9NO3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35);1-5H,6H2,(H,10,13)(H,11,12)/t20-,24+;/m0./s1 |
| InChIKey | XSFPZBUIBYMVEA-CELUQASASA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| telotristat etiprate (CHEBI:755333) has role antineoplastic agent (CHEBI:35610) |
| telotristat etiprate (CHEBI:755333) is a N-acylglycine (CHEBI:16180) |
| Synonyms | Source |
|---|---|
| LX 1032 HIPPURATE | ChEMBL |
| LX-1032 HIPPURATE | ChEMBL |
| LX1032 HIPPURATE | ChEMBL |
| LX-1606 HIPPURATE | ChEMBL |
| LX1606 HIPPURATE | ChEMBL |
| Telotristat ethyl hippurate | ChEMBL |
| Citations |
|---|