Omadacycline-d9
Product Specifications
CAS Number
2272886-41-4
Hazard Statement
No Data Available
Smiles
O[C@]12[C@](C[C@@]3([H])C(C(C4=C(O)C(CNCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC(N(C)C)=C4C3)=O)=C2O)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Molecular Formula
C29H31D9N4O7
Molecular Weight
565.71
InChI
InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1/i1D3,2D3,3D3
Additionnal Information
IUPAC name: (4S,4aS,5aR,12aS)-9-(((2,2-bis(methyl-d3)propyl-3,3,3-d3)amino)methyl)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
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