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Basic information
- CAS
930086-71-8- Standard SMILES
Cl.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1- InChIKey
ABVUAVNQKKGGEU-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O2S
- Average molar mass
- 420 g/mol
- Monoisotopic mass
- 419.1434259
Names & identifiers
- Preferred name
- Quetiapine hydrochloride
- IUPAC
- 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;hydrochloride
Names & synonyms
Quetiapine HydrochlorideRefChem:871355SCHEMBL396057ABVUAVNQKKGGEU-UHFFFAOYSA-NNS00078492
Database identifiers
- CAS
930086-71-8- PubChem CID
- 16038366
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
Related reactions
1 records
Compound notes
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