Molecule
![Molecular Image]()
Propyl Ethyl Des Br.topspin[1]
Propyl Ethyl Des Br.topspin[2]
Propyl Ethyl Des Br.topspin[3]
Propyl Ethyl Des Br.topspin[4]
Propyl Ethyl Des Br.topspin[5]
(13aS)-9-ethoxy-3-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Chemical Information
| InChI | InChI=1S/C22H27NO4/c1-3-9-27-21-11-15-7-8-23-13-17-14(5-6-19(24)22(17)26-4-2)10-18(23)16(15)12-20(21)25/h5-6,11-12,18,24-25H,3-4,7-10,13H2,1-2H3/t18-/m0/s1 |
|---|---|
| SMILES | CCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCC)C(O)=CC=C3C[C@@H]21 |
| InChI Key | JHLIBYXPSIHAKP-SFHVURJKSA-N |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9968 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL5395272 | chembl |
| 172447195 | pubchem |
| 50620540 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |