AC1L4DK9
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;tetrahydrate
Also Known As: Berberine Chloride tetrahydrate|3,3'-Dioctadecyloxacarbocyanine|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate|9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride--water (1/1/4)
| Molecular Formula | C20H26ClNO8 |
|---|---|
| Molecular Weight | 443.1347 g/mol |
| LogP | -3.1985 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.1347 |
| Monoisotopic Mass | 443.1347 |
| Heavy Atoms | 30 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 68005-98-1 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.O.O.O.[Cl-] |
| InChIKey | LDUJEOSMVBDXMS-UHFFFAOYSA-M |
Product Overview
AC1L4DK9 (CAS 68005-98-1), with molecular formula C20H26ClNO8 and molecular weight 443.1347 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;tetrahydrate.
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