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19716-66-6 | Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,10,11-tetramethoxy-
CAS No: 19716-66-6 Catalog No: AG002AN6 MDL No:MFCD20260589
Product Description
Catalog Number:
AG002AN6
Chemical Name:
Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,10,11-tetramethoxy-
CAS Number:
19716-66-6
Molecular Formula:
C21H22NO4+
Molecular Weight:
352.4037
MDL Number:
MFCD20260589
IUPAC Name:
2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
InChI:
InChI=1S/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1
InChI Key:
CLFBXKHKECKSQM-UHFFFAOYSA-N
SMILES:
COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)cc(c(c1)OC)OC
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.155g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.41g/mol
Monoisotopic Mass:
352.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Human topoisomerase I poisoning by protoberberines: potential roles for both drug-DNA and drug-enzyme interactions. | Biochemistry 20000620 |
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