Analyte Name

Des[(5-methyl-1,3,4-thiadiazol-2-yl)thio] Cefazolin-3-methanol-13C2,15N

Molecular Formula

13C2 C9 H12 15N N5 O5 S

Molecular Weight

343.294

Accurate Mass

343.063

SMILES

OCC1=C(N2[C@H](SC1)[C@H](N[13C](=O)[13CH2][15n]3cnnn3)C2=O)C(=O)O

InChI

InChI=1S/C11H12N6O5S/c18-2-5-3-23-10-7(9(20)17(10)8(5)11(21)22)13-6(19)1-16-4-12-14-15-16/h4,7,10,18H,1-3H2,(H,13,19)(H,21,22)/t7-,10-/m1/s1/i1+1,6+1,16+1

IUPAC

(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[[2-((115N)tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

478494-71-2

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat