Analyte Name

(E)-Cefditoren Pivoxil Dimer

Molecular Formula

C51 H56 N12 O14 S6

Molecular Weight

1253.452

Accurate Mass

1252.236

SMILES

CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C\c3scnc3C)/c4cnc(NCNc5ncc(s5)\C(=N/OC)\C(=O)N[C@H]6[C@H]7SCC(=C(N7C6=O)C(=O)OCOC(=O)C(C)(C)C)\C=C\c8scnc8C)s4

InChI

InChI=1S/C51H56N12O14S6/c1-24-28(80-20-56-24)13-11-26-17-78-42-34(40(66)62(42)36(26)44(68)74-22-76-46(70)50(3,4)5)58-38(64)32(60-72-9)30-15-52-48(82-30)54-19-55-49-53-16-31(83-49)33(61-73-10)39(65)59-35-41(67)63-37(45(69)75-23-77-47(71)51(6,7)8)27(18-79-43(35)63)12-14-29-25(2)57-21-81-29/h11-16,20-21,34-35,42-43H,17-19,22-23H2,1-10H3,(H,52,54)(H,53,55)(H,58,64)(H,59,65)/b13-11+,14-12+,60-32+,61-33+/t34-,35-,42-,43-/m1/s1

IUPAC

2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[[5-[(Z)-C-[[(6R,7R)-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxycarbonimidoyl]-1,3-thiazol-2-yl]amino]methylamino]-1,3-thiazol-5-yl]-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat