Bioactive Compound Details
| BioID | bio198060 |
|---|---|
| Name | QUININE PHOSPHATE |
| ChEMBL ID | CHEMBL3707329 |
| Molecular Formula | C60H78N6O14P2 |
| Molecular Weight | 1169.26 |
| Molecular Weight (Monoisotopic) | 324.1838 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | QUININE PHOSPHATE|QUININE PHOSPHATE, ANHYDROUS|QUININE, PHOSPHATE (3:2) (SALT) |
| Smiles | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=P(O)(O)O.O=P(O)(O)O |
| Inchi | InChI=1S/3C20H24N2O2.2H3O4P/c3*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*1-5(2,3)4/h3*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H3,1,2,3,4)/t3*13-,14-,19-,20+;;/m000../s1 |
| Inchi Key | JGWCVXDJEMKYEA-INGJVHGESA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.83 |
| Records Key | ['QUININE PHOSPHATE'] |
| Records Name | ['QUININE PHOSPHATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
