5RL
Summary
| Name: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol |
| Synonyms: | Apomorphine |
| Formula: | C17 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 267.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | VMWNQDUVQKEIOC-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34 |
| SMILES | CACTVS | 3.385 | CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O |
