quetiapine (seroquel) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

883.11

ALogP

2.86

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
  • InChIKey: ZTHJULTYCAQOIJ-WXXKFALUSA-N
    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+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3188993   ChEMBL
quetiapine fumarate *

CHEMBL1200911   ChEMBL
quetiapine fumarate

CHEMBL716   ChEMBL
quetiapine

BGL0JSY5SI   NCATS
quetiapine *

Quetiapine   Wikipedia

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