Analyte Name

Ceftaroline Fosamil Di-phosphonate

CAS Number

1286218-64-1

Molecular Formula

C22 H22 N8 O11 P2 S4

Molecular Weight

764.665

Accurate Mass

763.977

SMILES

CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])Sc3nc(cs3)c4cc[n+](C)cc4)\c5nsc(NP(=O)(O)OP(=O)(O)O)n5

InChI

InChI=1S/C22H22N8O11P2S4/c1-3-40-26-13(16-25-21(47-28-16)27-42(35,36)41-43(37,38)39)17(31)24-14-18(32)30-15(20(33)34)12(9-44-19(14)30)46-22-23-11(8-45-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H5-,24,25,27,28,31,33,34,35,36,37,38,39)/b26-13-/t14-,19-/m1/s1

IUPAC

(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-[[hydroxy(phosphonooxy)phosphoryl]amino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-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