Sinomenine hydrochloride

Catalog Number	ACM6080337-3
CAS Number	6080-33-7
Structure
Synonyms	Cucoline hydrochloride
IUPAC Name	(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one;hydrochloride
Molecular Weight	365.85
Molecular Formula	C19H24ClNO4
Canonical SMILES	OC(C1=C2C[C@@]3([H])[C@](C=C4OC)([H])[C@@]1(CCN3C)CC4=O)=C(C=C2)OC.Cl
InChI	InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1
InChI Key	YMEVIMJAUHZFMW-VUIDNZEBSA-N
Melting Point	231-235 °C
Purity	98%+
Appearance	White to off-white solid
Storage	4 °C, Sealed storage, away from moisture In solvent: -80 °C, 1 years; -20 °C, 6 months; (Sealed storage, away from moisture)
Complexity	562
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Exact Mass	365.1393859
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl
Monoisotopic Mass	365.1393859
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	59 Ų

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