Analyte Name

Ticillin-13C3 Disodium Salt

Molecular Formula

13C3 C12 H14 N2 Na2 O6 S2

Molecular Weight

431.369

Accurate Mass

431.019

SMILES

CC1(C)S[C@@H]2[C@H](N[13C](=O)[13CH]([13C](=O)O[Na])c3ccsc3)C(=O)N2[C@H]1C(=O)O[Na]

InChI

InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7?,8-,9+,12-;;/m1../s1/i7+1,10+1,13+1;;

IUPAC

[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-sodiooxy-2-thiophen-3-yl(1,2,3-13C3)propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxysodium

Unlabelled CAS Number

4697-14-7

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat