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N-Methylcorydaldine

CAT: 0804-HY-N10763Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Methylcorydaldine, an alkaloid, shows promising anti-secretory activity[1].
CAS Number
6514-05-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/n-methylcorydaldine.html
Solubility
10 mM in DMSO
Smiles
COC(C(OC)=C1)=CC2=C1CCN(C)C2=O
Molecular Formula
C12H15NO3
Molecular Weight
221.25
References & Citations
Annona squamosa twigs
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

N-Methylcorydaldine

N-methylcorydaldine is a quinolone. It has a role as a metabolite.

CAS Number6514-05-2
PubChem CID303906
IUPAC Name6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
Molecular FormulaC12H15NO3
Molecular Weight221.25
XLogP1.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity269
SMILES
CN1CCC2=CC(=C(C=C2C1=O)OC)OC
InChI
InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3
InChIKey
BDIZBBGNYDRCCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylcorydaldine
CAS: 6514-05-2
CID: 303906
Formula: C12H15NO3
MW: 221.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.25
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass221.10519334
Monoisotopic Mass221.10519334
Topological Polar Surface Area38.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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