Analyte Name

Cefozopran Dihydrochloride

Molecular Formula

C19H19Cl2N9O5S2

Molecular Weight

588.44

Accurate Mass

587.03

SMILES

[H][C@@]12N(C([C@@]2([H])NC(/C(C3=NSC(N)=N3)=N\OC)=O)=O)C(C([O-])=O)=C(CS1)C[N+]4=C5C=CC=NN5C=C4.Cl.Cl

InChI

InChI=1S/C19H17N9O5S2.2ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);2*1H/b24-11-;;/t12-,17-;;/m1../s1

IUPAC

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride

Alternate CAS Number

Hydrochloride salt: 113981-44-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat