4-[(3R,5S,6S,8S)-3-Ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-ol

Catalog Number	ACM253430487-1
CAS Number	253430-48-7
Structure
Synonyms	Beta-Isocupreidine
Molecular Weight	310.4
InChI	InChI=1S/C19H22N2O2/c1-2-19-11-21-8-6-12(19)9-17(21)18(23-19)14-5-7-20-16-4-3-13(22)10-15(14)16/h3-5,7,10,12,17-18,22H,2,6,8-9,11H2,1H3/t12-,17-,18-,19-/m0/s1
InChI Key	ULTQUFCPWDEOND-TUCQFJRYSA-N
Melting Point	258-259 °C
Purity	98%+
Complexity	472
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	310.168127949
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC[C@]12CN3CC[C@H]1C[C@H]3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)O
Monoisotopic Mass	310.168127949
PhysicalState	Solid
Rotatable Bond Count	2
Topological Polar Surface Area	45.6 Ų

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