Analyte Name

Cefcanel Daloxate

CAS Number

97275-40-6

Molecular Formula

C27 H27 N5 O9 S3

Molecular Weight

661.726

Accurate Mass

661.097

SMILES

C[C@H](N)C(=O)O[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OCC3=C(C)OC(=O)O3)CSc4nnc(C)s4)c5ccccc5

InChI

InChI=1S/C27H27N5O9S3/c1-12(28)24(35)41-20(15-7-5-4-6-8-15)21(33)29-18-22(34)32-19(25(36)38-9-17-13(2)39-27(37)40-17)16(10-42-23(18)32)11-43-26-31-30-14(3)44-26/h4-8,12,18,20,23H,9-11,28H2,1-3H3,(H,29,33)/t12-,18+,20+,23+/m0/s1

IUPAC

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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