| CAS Number | 889665-86-5 |
| Catalog Number | AG01CC6J(AGN-PC-0WBNSV) |
| Chemical Name | 8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium chloride |
| IUPAC Name | 16,17-dimethoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene;chloride |
| InChI | InChI=1S/C20H18NO4.ClH/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | DGRBIBRPLDAHJH-UHFFFAOYSA-M |
| MDL Number | MFCD01549686 |
| Molecular Formula | C20H18ClNO4 |
| Molecular Weight | 371.8142 |
| SMILES | C12=CC(OC)=C(OC)C=C1CC[N+]1=C2C=C2C=CC3OCOC=3C2=C1.[Cl-] |
| Synonyms | Epiberberine chloride,
Epiberberine (chloride),
889665-86-5,
HY-N0226A,
AKOS032944990,
CS-6060,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.817g/mol |
| Monoisotopic Mass | 371.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number