82834-16-0 Purity
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Specification
The molecular formula of Sultamicillin tosilate is C32H38N4O12S3.
The molecular weight of Sultamicillin tosilate is 766.9 g/mol.
The synonyms for Sultamicillin tosilate include Bacimex, 83105-70-8, and Unacim orale.
Sultamicillin tosilate was created on June 24, 2005, and last modified on December 30, 2023.
The IUPAC Name of Sultamicillin tosilate is [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-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.
The Canonical SMILES representation of Sultamicillin tosilate is CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C.
The InChIKey of Sultamicillin tosilate is FFCSPKNZHGIDQM-CGAOXQFVSA-N.
The CAS number of Sultamicillin tosilate is 83105-70-8.
Sultamicillin tosilate has 3 Hydrogen Bond Donor Count.
The Topological Polar Surface Area of Sultamicillin tosilate is 279 2.