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CHEBI:757580 - linzagolix choline
| Formula | C5H14NO.C22H14F3N2O7S |
| Net Charge | 0 |
| Average Mass | 611.595 |
| Monoisotopic Mass | 611.15492 |
| SMILES | COc1cc(F)c(-n2c(=O)nc3csc(C(=O)[O-])c3c2=O)cc1OCc1c(OC)ccc(F)c1F.C[N+](C)(C)CCO |
| InChI | InChI=1S/C22H15F3N2O7S.C5H14NO/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30;1-6(2,3)4-5-7/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30);7H,4-5H2,1-3H3/q;+1/p-1 |
| InChIKey | IAIVRTFCYOGNBW-UHFFFAOYSA-M |
| 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) |
| linzagolix choline (CHEBI:757580) has role antineoplastic agent (CHEBI:35610) |
| linzagolix choline (CHEBI:757580) is a thiophenecarboxylic acid (CHEBI:48436) |
| Synonyms | Source |
|---|---|
| KLH-2109 choline | ChEMBL |
| Linzagolix choline | ChEMBL |
| OBE2109 choline | ChEMBL |
| Brand Name | Source |
|---|---|
| Yselty | ChEMBL |