Name: Quetiapine-D8 Hemifumarate
Rating: 4 (6 reviews)

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HIT ID:HIT218833020
Cas No:
Common Name:Quetiapine-D8 Hemifumarate
IUPAC:2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl)ethoxy]ethan-1-ol; but-2-enedioic acid
IUPAC:2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl)ethoxy]ethan-1-ol; but-2-enedioic acid
InChIKey:VRHJBWUIWQOFLF-QPUNNWGTSA-N

Molecular Formula:C25H29N3O6S
Molecular Weight:507.63
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:OC(=O)C=CC(O)=O.[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc3ccccc23)C1([2H])[2H]
SMILES:OC(=O)C=CC(O)=O.[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc3ccccc23)C1([2H])[2H]

Quetiapine-D8 Hemifumarate is a deuterated compound of Quetiapine Hemifumarate. Quetiapine Hemifumarate (T6241) has a CAS number of 111974-72-2. Quetiapine Fumarate, an atypical antipsychotic, is used in the treatment of bipolar I mania, schizophrenia, bipolar II depression, bipolar I depression.

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