A1EN9
Summary
| Name: | (13~{a}~{S})-3,9-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinoline-2,10-diol |
| Synonyms: | L-Stepholidine |
| Formula: | C19 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 327.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (13~{a}~{S})-3,9-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinoline-2,10-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | JKPISQIIWUONPB-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |
| SMILES | CACTVS | 3.385 | COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(O)c4OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)[C@@H]3Cc4ccc(c(c4CN3CC2)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)C3Cc4ccc(c(c4CN3CC2)OC)O |
