Duopect

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;hydrochloride

Also Known As: Duopect|(3s)-6,7-dimethoxy-3-[(5r)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3h)-one- 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol hydrochloride(1:1:1)|1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, hydrochloride, (S-(R*,S*))-, mixt. with 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol|(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol--hydrogen chloride (1/1/1)|(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol; hydrochloride|6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol--hydrogen chloride (1/1/1)

Molecular Formula	C32H38ClNO12
Molecular Weight	663.20825 g/mol
LogP	3.091
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	663.20825
Monoisotopic Mass	663.20825
Heavy Atoms	46
Complexity	834.0

Chemical Identifiers

CAS Number	76404-10-9
SMILES	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.COC1=C(C=CC(=C1)C(C(CO)O)O)O.Cl
InChIKey	VTQRVURBARCSPK-WCRQIBMVSA-N