Amoxicillin/sulbactam

Substructure search Find similar structures

Basic information

CAS: 116626-54-1
Standard SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
InChIKey: KCUMGYRNIZLIRN-OUPOZMNRSA-N
Molecular formula: C24H30N4O10S2
Average molar mass: 598.7 g/mol
Monoisotopic mass: 598.14033551

Names & identifiers

Preferred name: Amoxicillin/sulbactam
IUPAC: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

Amoxicillin/sulbactamRefChem:1076940116626-54-1Amoxicillin & Sulbactam(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Database identifiers

CAS: 116626-54-1
PubChem CID: 465441

Properties

Computed structural properties

Topological polar surface area: 258 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 40
Formal charge: 0
Complexity: 1,040

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…