Analyte Name

Cloxacillin Dehydroxy-(6-aminopenicillanic Acid)

CAS Number

18704-55-7

Molecular Formula

C27H28ClN5O7S2

Molecular Weight

634.12

Accurate Mass

633.11

SMILES

O=C1N([C@H](C(C)(S2)C)C(O)=O)[C@@]2([H])[C@@H]1NC([C@@H]3N4[C@@](SC3(C)C)([H])[C@@H](C4=O)NC(C5=C(C)ON=C5C6=C(C=CC=C6)Cl)=O)=O

InChI

InChI=1S/C27H28ClN5O7S2/c1-10-13(14(31-40-10)11-8-6-7-9-12(11)28)19(34)29-15-21(36)32-17(26(2,3)41-23(15)32)20(35)30-16-22(37)33-18(25(38)39)27(4,5)42-24(16)33/h6-9,15-18,23-24H,1-5H3,(H,29,34)(H,30,35)(H,38,39)/t15-,16-,17+,18+,23-,24-/m1/s1

IUPAC

(2S,5R,6R)-6-((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat