Sultamicillin for peak identification CRS

Analyte Name

Sultamicillin

CAS Number

76497-13-7

Molecular Formula

C25 H30 N4 O9 S2

Molecular Weight

594.66

Accurate Mass

594.1454

Flash Point

5.0

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]4N5[C@@H](CC5=O)S(=O)(=O)C4(C)C

InChI

InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1

IUPAC

[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Tariff Code

29411000

Product Type

Other

Product Format

Mixture

API Family

Sultamicillin