N-Formyl-cefotiam-13C,15N2 N,N-Dibutyl-1-butanamine

Analyte Name

N-Formyl-cefotiam-13C,15N2 N,N-Dibutyl-1-butanamine

Molecular Formula

C18¹³CH22N7¹⁵N2O5S3 • C12H28N

Molecular Weight

741.97

Accurate Mass

740.3

SMILES

O=[13C](C([15N]12)=C(CSC3=NN=NN3CCN(C)C)CS[C@]2([H])[C@H]([15NH]C(CC4=CSC(NC=O)=N4)=O)C1=O)[O-].CCCCN(CCCC)CCCC

InChI

InChI=1S/C19H23N9O5S3.C12H27N/c1-26(2)3-4-27-19(23-24-25-27)36-7-10-6-34-16-13(15(31)28(16)14(10)17(32)33)22-12(30)5-11-8-35-18(21-11)20-9-29;1-4-7-10-13(11-8-5-2)12-9-6-3/h8-9,13,16H,3-7H2,1-2H3,(H,22,30)(H,32,33)(H,20,21,29);4-12H2,1-3H3/p-1/t13-,16-;/m1./s1/i17+1,22+1,28+1;

IUPAC

tributylamine, (6R,7R)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-7-(2-(2-formamidothiazol-4-yl)acetamido-15N)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-1-15N-13C salt

Alternate CAS Number

372092-17-6

Unlabelled CAS Number

372092-17-6

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat