Dehydrocorydaline | SBID = 339 | Compound |
Structure
Molecular Properties
| Interactions: | 12 | ||
| PubChem TPSA/Å2: | 40.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 286.1 | ||
| Sum Formula: | C22H24NO4+ | ||
| M / g/mol: | 366.437 | ||
| Complexity: | 503.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: Dehydrocorydaline
- Preferred Abbreviation: Dehydrocorydaline
- IUPAC Name: 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
- CAS: 30045-16-0
- CID: 34781
- InChiKey: RFKQJTRWODZPHF-UHFFFAOYSA-N
- InChi: InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
- CanoSmiles: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
- IsoSmiles: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
