8-oxidanyl-5-[(1S,2R)-1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride

Systemtic Name: 8-oxidanyl-5-[(1S,2R)-1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride Openeye Name: 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(isopropylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride CAS Name: 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride IUPAC Name: 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrate dihydrochloride Traditional Name: 8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(isopropylamino)butyl]carbostyril hydrate dihydrochloride Formula: C32H48Cl2N4O7 MolecularWeight: 671.65212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.O.Cl.Cl

Isomeric SMILES

CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.O.Cl.Cl

InChI

InChI=1S/2C16H22N2O3.2ClH.H2O/c2*1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;;;/h2*5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);2*1H;1H2/t2*12-,16+;;;/m11.../s1