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Home Other Building Blocks 329216-63-9
329216-63-9,MFCD08460237
Catalog No.:AA00BY3C

329216-63-9 | Quetiapine sulfoxide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
95%
in stock  
$482.00   $338.00
- +
25mg
95%
in stock  
$1,966.00   $1,377.00
- +
50mg
95%
in stock  
$3,493.00   $2,445.00
- +
100mg
95%
in stock  
$6,241.00   $4,369.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BY3C
Chemical Name:
Quetiapine sulfoxide
CAS Number:
329216-63-9
Molecular Formula:
C21H25N3O3S
Molecular Weight:
399.5065
MDL Number:
MFCD08460237
SMILES:
OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)c2c1cccc2
Properties
Properties
 
BP:
611.3°C at 760 mmHg  
Form:
Solid  
MP:
>51ºC (dec.)  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
515  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Koerber,Jochen;Loeffler,Stefan;Schollmeyer,Dieter;Nubbemeyer,Udo[Synthesis,2013,vol.45,#20,p.2875-2887]

[1]Koerber,Jochen;Loeffler,Stefan;Schollmeyer,Dieter;Nubbemeyer,Udo[Synthesis,2013,vol.45,#20,p.2875-2887]

Literature

Title: Behavioral approach to nondyskinetic dopamine antagonists: identification of seroquel.

Journal: Journal of medicinal chemistry 20010201

Title: Remmerie B, et al. Comparison of Capillary and Venous Drug Concentrations After Administration of a Single Dose of Risperidone, Paliperidone, Quetiapine, Olanzapine, or Aripiprazole. Clin Pharmacol Drug Dev. 2016 Nov;5(6):528-537.

Title: Cross AJ, et al. Quetiapine and its metabolite norquetiapine: translation from in vitro pharmacology to in vivo efficacy in rodent models. Br J Pharmacol. 2016 Jan;173(1):155-66.

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SDS
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Tags:329216-63-9 Molecular Formula|329216-63-9 MDL|329216-63-9 SMILES|329216-63-9 Quetiapine sulfoxide