Quetiapine fumarate CRS
Product Code
EPY0001657
CAS Number
Product Format
Neat
Molecular Formula
2 C21 H25 N3 O2 S . C4 H4 O4
Molecular Weight
883.09
API Family
Quetiapine FumarateProduct Categories
Product Type
APIAlternate CAS Number
Price and availability
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Product Information
Product Data
Analyte Name
Quetiapine fumarate
CAS Number
111974-72-2
Molecular Formula
2 C21 H25 N3 O2 S . C4 H4 O4
Molecular Weight
883.09
Accurate Mass
882.3445
Flash Point
5.0
SMILES
OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68.OC(=O)\C=C\C(=O)O
InChI
5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2, 1-2H,(H,5,6)(H,7,8)/b, , 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, 2-1+
IUPAC
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid
Alternate CAS Number
Free base: 111974-69-7
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Tariff Code
29349990
Product Attributes
Product Type
API
Product Format
Neat
API Family
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