Molecules/l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
(3S)-3-[(1R)-6,7-dihydroxy-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Molecular Identity
l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
(3S)-3-[(1R)-6,7-dihydroxy-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
PubChem CID: 196528
2D Structure
Properties
C21H23NO7
Molecular Formula
401.40
Molecular Weight
g/mol
401.1475
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
97.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
604
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC2=CC(=C(C(=C2C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OC)O)OIsomeric SMILES
SMILES: CN1CCC2=CC(=C(C(=C2[C@@H]1[C@@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OC)O)OSynonyms(13)
78213-27-1DTXSID30228856l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl)-, (S-(R*,S*))-RefChem:151798DTXCID80151347MB-1(3S)-6,7-Dimethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl]-1(3H)-isobenzofuranoneMB-1 compoundSCHEMBL29350244WIDCNZPRZAMWFV-AEFFLSMTSA-N(3S)-3-[(1R)-6,7-Dihydroxy-8-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one(3S)-6,7-Dimethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl]-1(3H)-Isobenzofuranone; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl)-, [S-(R*,S*)]- (9CI)
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
Loading structure...
Drug Network
Trials and conditions connected to l-alpha-Methyl-8-methoxy-6,7-dihydroxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
Loading drug network...