Analyte Name

Cloxacillin (Open Ring) 7-N-(6-Aminopenicillanic Acid) Disodium

Molecular Formula

C27H28ClN5O8S2.Na2

Molecular Weight

696.1

Accurate Mass

695.09

SMILES

O=C(C1=C(C)ON=C1C2=CC=CC=C2Cl)N[C@@H]([C@]3([H])N[C@@H](C(O[Na])=O)C(C)(C)S3)C(N[C@@H]4C(N5[C@]4([H])SC(C)(C)[C@@H]5C(O[Na])=O)=O)=O

InChI

InChI=1S/C27H30ClN5O8S2.2Na/c1-10-13(14(32-41-10)11-8-6-7-9-12(11)28)19(34)29-15(21-31-17(24(37)38)26(2,3)42-21)20(35)30-16-22(36)33-18(25(39)40)27(4,5)43-23(16)33;;/h6-9,15-18,21,23,31H,1-5H3,(H,29,34)(H,30,35)(H,37,38)(H,39,40);;/q;2*+1/p-2/t15-,16-,17+,18+,21+,23-;;/m1../s1

IUPAC

Sodium (2S,5R,6R)-6-((R)-2-((2R,4S)-4-Carboxylato-5,5-dimethylthiazolidin-2-yl)-2-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat