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CHEBI:751152 - talotrexin ammonium
| Formula | H3N.C27H27N9O6 |
| Net Charge | 0 |
| Average Mass | 590.601 |
| Monoisotopic Mass | 590.23498 |
| SMILES | N.Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1 |
| InChI | InChI=1S/C27H27N9O6.H3N/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40;/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36);1H3/t19-;/m0./s1 |
| InChIKey | CURXCENNYPPKOS-FYZYNONXSA-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) |
| talotrexin ammonium (CHEBI:751152) has role antineoplastic agent (CHEBI:35610) |
| talotrexin ammonium (CHEBI:751152) is a N-acylglycine (CHEBI:16180) |
| Synonyms | Source |
|---|---|
| NSC-712783 | ChEMBL |
| PT-523 | ChEMBL |
| PT523 | ChEMBL |
| Talotrexin ammonium | ChEMBL |