Substance
  • Substance Name: amoxicillin
  • Formula: C16H19N3O5S
  • Molecular Weight: 365.4 g/mol
  • Identifiers:
    • casrn: 26787-78-0
    • pubchemId: 33613
    • iupacname: (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
    • inchi: InChI=1S/C16H19N3O5S/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)/t9-,10-,11+,14-/m1/s1
    • inchikey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N
    • csmiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C
    • ismiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C
    • wikidataId: Q201928
    • chemspiderId: 31006
    • dsstoxcmpId: DTXCID1017044
    • chemblId: CHEMBL1082
    • ecnumber: 248-003-8
amoxicillin
Systems and Datasets