Flomoxef-d4 (Technical Grade)

Analyte Name

Flomoxef-d4

Molecular Formula

C15 D4 H14 F2 N6 O7 S2

Molecular Weight

500.491

Accurate Mass

500.09

SMILES

[2H]C([2H])(O)C([2H])([2H])n1nnnc1SCC2=C(N3[C@H](OC2)[C@@](NC(=O)CSC(F)F)(OC)C3=O)C(=O)O

InChI

InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1/i2D2,3D2

IUPAC

(6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-7-methoxy-8-oxo-3-[[1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

99665-00-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat