Amoxicillin TrihydrateProduct ingredient for Amoxicillin
- Name
- Amoxicillin Trihydrate
- Drug Entry
- Amoxicillin
Amoxicillin, or BRL-2333, is a penicillin G derivative first described in the literature in 1972.6 Amoxicillin has similar activity to penicillin and ampicillin, but leads to higher serum concentrations than ampicillin.6
Amoxicillin was granted FDA approval on 18 January 1974.12
- Accession Number
- DBSALT000867
- Structure
- Synonyms
- Amoxicillin hydrate / Amoxicyllin Trihydrate
- UNII
- 804826J2HU
- CAS Number
- 61336-70-7
- Weight
- Average: 419.45
Monoisotopic: 419.136235951 - Chemical Formula
- C16H25N3O8S
- InChI Key
- MQXQVCLAUDMCEF-CWLIKTDRSA-N
- InChI
- InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
- IUPAC Name
- (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
- SMILES
- O.O.O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
- External Links
- KEGG Drug
- D00229
- PubChem Compound
- 33613
- ChemSpider
- 56611
- ChEBI
- 51254
- Wikipedia
- Amoxicillin
- Predicted Properties
Property Value Source Water Solubility 0.958 mg/mL ALOGPS logP 0.75 ALOGPS logP -2.3 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) 7.22 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 132.96 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 89.5 m3·mol-1 Chemaxon Polarizability 36.05 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon