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Lunacridine perchlorate

CAT: 0931-T32953-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T32953-01Size:100 mg
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CAS Number
114099-37-5
Target
Others
Related Pathways
Others
Bioactivity
Lunacridine perchlorate isa bioactive chemical.
Smiles
O[Cl](=O)(=O)=O.COc1cccc2c(OC)c(C[C@@H](O)C(C)C)c(=O)n(C)c12
Molecular Formula
C17H24ClNO8
Molecular Weight
405.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lunacridine perchlorate
CAS Number114099-37-5
PubChem CID72941655
IUPAC Name3-[(2R)-2-hydroxy-3-methylbutyl]-4,8-dimethoxy-1-methylquinolin-2-one;perchloric acid
Molecular FormulaC17H24ClNO8
Molecular Weight405.8
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity560
SMILES
CC(C)[C@@H](CC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC)O.OCl(=O)(=O)=O
InChI
InChI=1S/C17H23NO4.ClHO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20;2-1(3,4)5/h6-8,10,13,19H,9H2,1-5H3;(H,2,3,4,5)/t13-;/m1./s1
InChIKey
VTBASJNRIRWRAY-BTQNPOSSSA-N
Chemical Structure
2D Structure
2D structure of Lunacridine perchlorate
CAS: 114099-37-5
CID: 72941655
Formula: C17H24ClNO8
MW: 405.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass405.1190444
Monoisotopic Mass405.1190444
Topological Polar Surface Area130 Ų
Heavy Atom Count27
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes