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Chemical structure of Sultamicillin tosylate

GC39544

Sultamicillin tosylate

Also known as [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-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;4-methylbenzenesulfonic acid

Sultamicillin (tosylate) is a potent and orally active beta-lactamase inhibitor, an antibiotic with antibacterial activity

ChemicalCAS83105-70-8MW766.86FormulaC32H38N4O12S3
CAS number
83105-70-8
Molecular weight
766.86
Formula
C32H38N4O12S3
Solubility
DMSO： 125 mg/mL (163·00 mM)
InChIKey
FFCSPKNZHGIDQM-CGAOXQFVSA-N
Catalogue number
GC39544
Brand
GLPBIO
Computed properties PubChem CID 444021 · TPSA 279 Ų · H-bond donors 3 · H-bond acceptors 14
TPSA
279 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
10
Heavy atoms
51

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C)C

Computed descriptors from PubChem (CID 444021), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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