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Substance
ID:349516
Structure
Similarity
Functional Group
Text
ID:72798
Quetiapine hemifumarate salt
Sigma Aldrich
ID: Q3638
Names and Identifiers
Synonyms
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate
Quetiapine hemifumarate salt
Quetiapine fumarate
IUPAC Traditional name
butenedioic acid; bis(quetiapine)
IUPAC name
bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0
3
,
8
]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol); but-2-enedioic acid
Registration numbers
CAS Number
111974-72-2
MDL Number
MFCD03423782
Properties
Physical Property
Solubility
DMSO: >10 mg/mL
Apperance
white to off-white powder
Safety Information
Storage Condition
desiccated
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Risk Statements
22
-
50/53
MSDS Link
Download link
European Hazard Symbols
Harmful (Xn)
Nature polluting (N)
Safety Statements
60
-
61
GHS Precautionary statements
P273
GHS Hazard statements
H302
-
H400
Storage Temperature
2-8°C
GHS Signal Word
Warning
German water hazard class
3
Product Information
Purity
≥98% (HPLC)
Empirical Formula (Hill Notation)
C21H25N3O2S · 0.5C4H4O4
Molecule Details
Biochem/physiol Actions
Quetiapine hemifumarate is an atypical antipsychotic, a combined serotonin (5HT2) and dopamine (D2) receptor antagonist.
Molecular Spectra
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References
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