COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC
CAS: 13074-31-2
Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC

Molecular Processing

Molecular formula
C20H25NO4
Molecular weight
343.42
Exact mass
343.1784
XLogP
3.15
TPSA
48.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
97.24

Supplementary Information

InChIKey: YXWQTVWJNHKSCC-UHFFFAOYSA-N
Synonyme
TETRAHYDROPAPAVERINE13074-31-2RefChem:905518(+-)-Tetrahydropapaverine235-968-51-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineR-Tetrahydropapaverine1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline50896-90-7isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydroiodide1,2,3,4-TetrahydropapaverineTetrahydropapaverin1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineEINECS 235-968-5Papaverine, 1,2,3,4-tetrahydro-Papaverine EP Impurity E(+/-)-N-NorlaudanosineTimTec1_002724Oprea1_802595MLS006011806CHEMBL160919SCHEMBL1076975SCHEMBL5481772(R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineSCHEMBL30298903SCHEMBL31612469CHEBI:195380DTXSID701018689HMS1541L18
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