Analyte Name

2-Bromo Carbenicillin Disodium Salt

CAS Number

59530-63-1

Molecular Formula

C17 H15 Br N2 O6 S . 2 Na

Molecular Weight

501.259

Accurate Mass

499.963

SMILES

[Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3Br)C(=O)N2[C@H]1C(=O)[O-]

InChI

InChI=1S/C17H17BrN2O6S.2Na/c1-17(2)11(16(25)26)20-13(22)10(14(20)27-17)19-12(21)9(15(23)24)7-5-3-4-6-8(7)18;;/h3-6,9-11,14H,1-2H3,(H,19,21)(H,23,24)(H,25,26);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1

IUPAC

disodium;(2S,5R,6R)-6-[[2-(2-bromophenyl)-2-carboxylatoacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat