Molecular Identity
Quetiapine
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
PubChem CID: 5002
Quetiapine is a dibenzothiazepine, a N-alkylpiperazine and a N-arylpiperazine. It has a role as an adrenergic antagonist, a histamine antagonist, a serotonergic antagonist, a dopaminergic antagonist and a second generation antipsychotic.
2D Structure
Properties
C21H25N3O2S
Molecular Formula
383.50
Molecular Weight
g/mol
383.1667
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
73.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
496
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42Isomeric SMILES
SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42Synonyms(20)
quetiapine111974-69-7quetiapinaNorsicquetiapinum2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanolBGL0JSY5SIDTXSID9023546Quetiapine extended releaseNSC-7589182-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanolEthanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-CHEBI:8707DTXCID903546
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Quetiapine
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