N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine hydrate dihydrochloride

Systemtic Name: N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine hydrate dihydrochloride Openeye Name: N,N'-bis[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine hydrate dihydrochloride CAS Name: N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine hydrate dihydrochloride IUPAC Name: N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine hydrate dihydrochloride Traditional Name: [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-[2-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethyl]amine hydrate dihydrochloride Formula: C42H68Cl2N2O MolecularWeight: 687.90812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCNCC4(CCCC5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C.O.Cl.Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCCNC[C@@]4(CCC[C@]5([C@H]4CCC6=C5C=CC(=C6)C(C)C)C)C)C.O.Cl.Cl

InChI

InChI=1S/C42H64N2.2ClH.H2O/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H;1H2/t37-,38-,39-,40-,41+,42+;;;/m0.../s1