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2,2-Bis Nalbuphine

SZ CAT No SZ-N072002
CAS No 214542-42-4
Mol.F. C42H52N2O8
Mol.Wt. 712.9
Inv. Status Custom Synthesis


Chemical Name: (4R,4'R,5S,5'S,8S,8'S,9R,9'R,17S,17'S)-3,3'-Bis(cyclobutylmethyl)-1,1',2,2',3,3',4,4',5,5',6,6',7,7',8,8',9,9',18,18'-icosahydro-[13,13'-bi(4,12-methanobenzofuro[3,2-e]isoquinoline)]-5,5',8,8',12,12'-hexaol

Smiles: O[C@]1([C@@]2([H])CC3=CC(C(C=C4C5=C6O[C@]([C@H]7O)([H])[C@@]5(CCN8CC9CCC9)[C@@](O)(CC7)[C@@]8([H])C4)=C6O)=C%10O)[C@@]%11(CCN2CC%12CCC%12)C3=C%10O[C@@]%11([H])[C@@H](O)CC1

Inchi: InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1