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Antidepressant agent 5

CAT: 0931-T78556-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T78556-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1071049-42-7
Target
Monoamine Oxidase, Others
Related Pathways
Others, Neuroscience
Purity
0.9942
Bioactivity
Antidepressant agent 5 is a 7-substituted tetrahydroisoquinoline derivative with antidepressant activity.Antidepressant agent 5 acts similarly to magnoflorine in the study of depression and can be used for the prevention and treatment of depressive disorders.
Smiles
O(C1=CC=C(C=C1)CCN2CC3=CC(OC)=C(OC)C=C3CC2)C
Molecular Formula
C20H25NO3
Molecular Weight
327.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antidepressant agent 5
CAS Number1071049-42-7
PubChem CID57170623
IUPAC Name6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
Molecular FormulaC20H25NO3
Molecular Weight327.4
XLogP3.7
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity370
SMILES
COC1=CC=C(C=C1)CCN2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C20H25NO3/c1-22-18-6-4-15(5-7-18)8-10-21-11-9-16-12-19(23-2)20(24-3)13-17(16)14-21/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
CQLWHPMAMUBLNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antidepressant agent 5
CAS: 1071049-42-7
CID: 57170623
Formula: C20H25NO3
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass327.18344366
Monoisotopic Mass327.18344366
Topological Polar Surface Area30.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity370
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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