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633-66-9 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)
CAS No: 633-66-9 Catalog No: AG00IB6T MDL No:MFCD00075789
Product Description
Catalog Number:
AG00IB6T
Chemical Name:
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)
CAS Number:
633-66-9
Molecular Formula:
C20H19NO8S
Molecular Weight:
433.4318
MDL Number:
MFCD00075789
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;hydrogen sulfate
InChI:
InChI=1S/C20H18NO4.H2O4S/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;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
JISRTQBQFQMSLG-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1
EC Number:
211-196-4
UNII:
69A4M9800W
NSC Number:
150444
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.083g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.431g/mol
Monoisotopic Mass:
433.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Potent antiprotozoal activity of a novel semi-synthetic berberine derivative. | Bioorganic & medicinal chemistry letters 20110501 |
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