Quetiapine Fumarate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 216
Total Number of Articles : 290
PubChem 25058200
Molecular Formula

C46H54N6O8S2

SMILES

[H+].[H+].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-]

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+

synonyms
  • Seroquel
  • Quetiapine fumarate
  • 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt)
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Properties
Property Value
MW 883.1 g/mol
HBD 4
HBA 14
Rotatable Bond Count 12
Exact Mass 882.34445505 g/mol
Monoisotopic Mass 882.34445505 g/mol
Heavy Atom Count 62
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 5
Complexity 604
xlogp None
Topological Polar Surface Area 228