bis(cevimelina) hydrate dihydrochloride

CAS: 153504-70-2

Formula: C20H38Cl2N2O3S2

SMILES: O.Cl.Cl.CC1O[C@@]2(CS1)CN1CCC2CC1.CC1O[C@@]2(CS1)CN1CCC2CC1

IUPAC: bis((2R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane]) hydrate dihydrochloride

InChI: InChI=1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8?,10-;;;/m11.../s1

Composition: C (49.07%), H (7.82%), Cl (14.48%), N (5.72%), O (9.80%), S (13.10%)

Molar Mass: 489.56

Atom Count: 67

Heavy Atom Count: 29