Category
Heterocyclic Organic Compound
Synonyms
1,2-Methylenedioxy-9,10-dimethoxyaporphine
IUPAC Name
9,10-Dimethoxy-1,2-(methylenedioxy)aporphine
Molecular Formula
C20H21NO4
Canonical SMILES
CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3
InChI
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChI Key
YJWBWQWUHVXPNC-AWEZNQCLSA-N
Boiling Point
480.7ºC at 760mmHg
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Isomeric SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
Monoisotopic Mass
339.14705815
Topological Polar Surface Area
40.2 Ų
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