Cephalexin Sulfoxide Trifluoroacetic Acid Salt

Analyte Name

Cephalexin Sulfoxide Trifluoroacetic Acid Salt

Molecular Formula

C16 H17 N3 O5 S . C2 H F3 O2

Molecular Weight

477.412

Accurate Mass

477.082

SMILES

CC1=C(N2C([C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)S(=O)C1)C(=O)O.OC(=O)C(F)(F)F

InChI

InChI=1S/C16H17N3O5S.C2HF3O2/c1-8-7-25(24)15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;3-2(4,5)1(6)7/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);(H,6,7)/t10-,11-,15?,25?;/m1./s1

IUPAC

(7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-5,8-dioxo-5?4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetic acid

Alternate CAS Number

Free Acid: 56193-21-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat