Substance
  • Substance Name: quetiapine fumarate
  • Formula: C46H54N6O8S2
  • Molecular Weight: 883.1 g/mol
  • Identifiers:
    • inchi: InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+
    • inchikey: ZTHJULTYCAQOIJ-WXXKFALUSA-N
    • casrn: 111974-72-2
    • csmiles: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
    • ismiles: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O
    • pubchemId: 5281025
    • iupacname: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid
    • wikidataId: Q27108136
    • chemspiderId: 4444493
    • dsstoxcmpId: DTXCID1024201
    • chemblId: CHEMBL3188993
    • ecnumber: 601-144-2
quetiapine fumarate
Systems and Datasets