Berberine chloride | SBID = 18 | Compound |
Structure
Molecular Properties
| Interactions: | 144 | ||
| PubChem TPSA/Å2: | 40.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C20H18ClNO4 | ||
| M / g/mol: | 371.817 | ||
| Complexity: | 488.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, dye, charged
- Name: Berberine chloride
- Preferred Abbreviation: Berberine chloride
- IUPAC Name: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride
- CAS: 633-65-8
- CID: 12456
- InChiKey: VKJGBAJNNALVAV-UHFFFAOYSA-M
- InChi: InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
- IsoSmiles: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
