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Product Overview

Product Code

TRC-F401852

Product Format

Neat

Molecular Formula

C15 D4 H14 F2 N6 O7 S2

Molecular Weight

500.491

Product Categories

TRC, Other antibacterials, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

99665-00-6

Documentation

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Product Information

Chemical Data

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Flomoxef-d4 (Technical Grade)

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