Isocorydine

Catalog Number	ACM475672-3
CAS Number	475-67-2
Structure
Synonyms	(6aS)-5,6,6a,7-Tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-11-ol
Molecular Weight	341.4
Molecular Formula	C20H23NO4
Canonical SMILES	COC1=C2C3=C(C=C1OC)CCN(C)[C@@]3([H])CC4=CC=C(OC)C(O)=C24
InChI	InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChI Key	QELDJEKNFOQJOY-ZDUSSCGKSA-N
Melting Point	216-220 °C
Purity	99%+
Appearance	White to off-white solid
Storage	4 °C, Protect from light In solvent: -80 °C, 6 months; -20 °C, 1 month (Protect from light)
Complexity	475
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	341.16270821
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Monoisotopic Mass	341.16270821
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	51.2 Ų

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