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CHEBI:755308 - ifetroban sodium
| Formula | Na.C25H31N2O5 |
| Net Charge | 0 |
| Average Mass | 462.522 |
| Monoisotopic Mass | 462.21307 |
| SMILES | CCCCCNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)[O-])[C@@H]3CC[C@H]2O3)n1.[Na+] |
| InChI | InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1 |
| InChIKey | WOHSQDNIXPEQAE-QBKVZTCDSA-M |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antifibrotic agent Any agent which acts to reduce fibrosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ifetroban sodium (CHEBI:755308) has role antifibrotic agent (CHEBI:233423) |
| ifetroban sodium (CHEBI:755308) has role antineoplastic agent (CHEBI:35610) |
| ifetroban sodium (CHEBI:755308) has role cardiovascular drug (CHEBI:35554) |
| ifetroban sodium (CHEBI:755308) is a benzenes (CHEBI:22712) |
| ifetroban sodium (CHEBI:755308) is a monocarboxylic acid (CHEBI:25384) |
| Synonyms | Source |
|---|---|
| BMS-180291-02 | ChEMBL |
| Ifetroban sodium | ChEMBL |