Analyte Name

Cefcanel Daloxate Hydrochloride

CAS Number

92602-21-6

Molecular Formula

C27H27N5O9S3 •HCl

Molecular Weight

698.18

Accurate Mass

697.08

SMILES

O=C1OC(COC(C2=C(CSC3=NN=C(C)S3)CS[C@@]([C@@H]4NC([C@@H](C5=CC=CC=C5)OC([C@@H](N)C)=O)=O)([H])N2C4=O)=O)=C(C)O1.Cl

InChI

InChI=1S/C27H27N5O9S3.ClH/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);1H/t12-,18+,20+,23+;/m0./s1

IUPAC

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-((R)-2-((L-alanyl)oxy)-2-phenylacetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Alternate CAS Number

97275-40-6

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat