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Liensinine diperchlorate

CAT: 0957-S9424-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S9424-01Size:1 mg
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Description
Liensinine, a major isoquinoline alkaloid, inhibits late-stage autophagy/mitophagy through blocking autophagosome-lysosome fusion. It is a novel autophagy/mitophagy inhibitor.
CAS Number
5088-90-4
Target
Autophagy
Activity
Autophagy
Molecular Formula
C37H44Cl2N2O14
Storage Conditions
3 years -20°C powder

Chemical Information

Liensinine (Diperchlorate)
CAS Number5088-90-4
PubChem CID131674030
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol;perchloric acid
Molecular FormulaC37H44Cl2N2O14
Molecular Weight811.7
Topological Polar Surface Area227
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count55
Formal Charge0
Complexity1030
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC.OCl(=O)(=O)=O.OCl(=O)(=O)=O
InChI
InChI=1S/C37H42N2O6.2ClHO4/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2;2*2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;2*(H,2,3,4,5)/t30-,31-;;/m1../s1
InChIKey
BGUPXKYVHOSZPY-ZAMYOOMVSA-N
Chemical Structure
2D Structure
2D structure of Liensinine (Diperchlorate)
CAS: 5088-90-4
CID: 131674030
Formula: C37H44Cl2N2O14
MW: 811.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight811.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass810.2169595
Monoisotopic Mass810.2169595
Topological Polar Surface Area227 Ų
Heavy Atom Count55
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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