Magnoflorine chloride

Catalog Number	ACM6681181
CAS Number	6681-18-1
Synonyms	Corytuberine methochloride
IUPAC Name	(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;chloride
Molecular Weight	377.87
Molecular Formula	C20H24NO4Cl
Canonical SMILES	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
InChI	InChI=1S/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1
InChI Key	STVJLBTYWBXDBP-ZOWNYOTGSA-N
Melting Point	236-237 °C
Purity	98%
Appearance	Powder
Complexity	498
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	377.1393859
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
Monoisotopic Mass	377.1393859
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	58.9 Ų

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