Berberine chloride hydrate
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;hydrate
Also Known As: Berberine chloride hydrate|berberine|Natural Yellow 18|Berberine (chloride hydrate)|Berberinehydrochloride|Berberinechloridehydrate|Berberine chloride xhydrate|starbld0019672|Natural Yellow 18 Hydrate|Berberine Chloride Hydrate|Berberine chloride monohydrate|Natural Yellow 18 chloride hydrate|1-Hydroxypseudodiethylstilbestrol|KS-00000VXN|9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate|1636AH|6555AF|AC-4573|CS-3213|FS-4088|Dimethyl-(4-pyrazin-2-yl-phenyl)-amine
| Molecular Formula | C20H20ClNO5 |
|---|---|
| Molecular Weight | 389.103 g/mol |
| LogP | -0.7244 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.103 |
| Monoisotopic Mass | 389.103 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 68030-18-2 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-] |
| InChIKey | BPNJXFPOPCFZOC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Berberine chloride hydrate (CAS 68030-18-2), with molecular formula C20H20ClNO5 and molecular weight 389.103 g/mol. IUPAC: 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;hydrate.
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