Ampicillin trihydrateProduct ingredient for Ampicillin
- Name
- Ampicillin trihydrate
- Drug Entry
- Ampicillin
Ampicillin is a semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.
- Accession Number
- DBSALT001206
- Structure
- Synonyms
- Aminobenzylpenicillin trihydrate / Ampicillin hydrate / Ampicillin/ampicillin trihydrate / Poly-cillin
- UNII
- HXQ6A1N7R6
- CAS Number
- 7177-48-2
- Weight
- Average: 403.45
Monoisotopic: 403.141321331 - Chemical Formula
- C16H25N3O7S
- InChI Key
- RXDALBZNGVATNY-CWLIKTDRSA-N
- InChI
- InChI=1S/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
- IUPAC Name
- (2S,5R,6R)-6-{[(2R)-2-amino-1-hydroxy-2-phenylethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
- SMILES
- O.O.O.[H][C@](N)(C(O)=N[C@]1([H])C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C(O)=O)C1=CC=CC=C1
- External Links
- KEGG Drug
- D01251
- ChemSpider
- 22034
- ChEBI
- 31209
- ChEMBL
- CHEMBL453388
- Predicted Properties
Property Value Source Water Solubility 0.325 mg/mL ALOGPS logP 0.44 ALOGPS logP -1.4 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 2.8 Chemaxon pKa (Strongest Basic) 8.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 116.22 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 88.05 m3·mol-1 Chemaxon Polarizability 34.1 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