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CHEBI:749186 - gantacurium
| Formula | C53H69ClN2O14 |
| Net Charge | +2 |
| Average Mass | 993.588 |
| Monoisotopic Mass | 992.44264 |
| SMILES | COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 |
| InChI | InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1 |
| InChIKey | ZQLDXCSTJFLRPY-RWBXLJKRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gantacurium (CHEBI:749186) is a isoquinolines (CHEBI:24922) |
| Synonyms | Source |
|---|---|
| Gantacurium cation | ChEMBL |
| Gantacurium ion | ChEMBL |