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Lunasine perchlorate, (-) -

CAT: 0931-T32956-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T32956-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121543-68-8
Target
Others
Related Pathways
Others
Bioactivity
Lunasine perchlorate, (-) - is a bioactive chemical.
Smiles
O(C)C1=C2C(=[N+](C)C=3C1=CC=CC3OC)O[C@@H](C(C)C)C2.Cl(=O)(=O)(=O)[O-]
Molecular Formula
C17H22ClNO7
Molecular Weight
387.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lunasine perchlorate, (-)-
CAS Number121543-68-8
PubChem CID72941666
IUPAC Name(2R)-4,8-dimethoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium perchlorate
Molecular FormulaC17H22ClNO7
Molecular Weight387.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity458
SMILES
CC(C)[C@H]1CC2=C(C3=C(C(=CC=C3)OC)[N+](=C2O1)C)OC.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C17H22NO3.ClHO4/c1-10(2)14-9-12-16(20-5)11-7-6-8-13(19-4)15(11)18(3)17(12)21-14;2-1(3,4)5/h6-8,10,14H,9H2,1-5H3;(H,2,3,4,5)/q+1;/p-1/t14-;/m1./s1
InChIKey
MMURJFLBXDTWSH-PFEQFJNWSA-M
Chemical Structure
2D Structure
2D structure of Lunasine perchlorate, (-)-
CAS: 121543-68-8
CID: 72941666
Formula: C17H22ClNO7
MW: 387.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass387.1084797
Monoisotopic Mass387.1084797
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity458
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

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