quinine dihydrochloride

quinine dihydrochloride

CAS: 60-93-5

Formula: C20H26Cl2N2O2

SMILES: Cl.Cl.COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C

IUPAC: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrochloride

InChI: InChI=1S/C20H24N2O2.2ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H/t13-,14+,19+,20-;;/m1../s1

Composition: C (60.46%), H (6.60%), Cl (17.84%), N (7.05%), O (8.05%)

Molar Mass: 397.34

Atom Count: 52

Heavy Atom Count: 26

Properties

Properties

Common Names	quinine dihydrochloride
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	396.1371335
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NNKXWRRDHYTHFP-HZQSTTLBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.69
Topological Polar Surface Area	45.59
Polarizability	38.35
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS		UnitPrice
99%	<10 Days	60-93-5		Quote Only