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Quetiapine Fumarate

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Quetiapine Fumarate / CAS : 111974-72-2

Appearance White crystalline solid UN 3295
HS 29349990 DG Class 3
Synonyms 2-[2-(4-Dibenzo[B,F][1,4]Thiazepin-11-Yl-1-Piperazinyl)Ethoxy]Ethanol Hemifumarate; Quetiapine Hemifumarate; Quetiapine Hemifumarate Salt; Quetiapine Hemifumerate; Quetiapine Fumarate Usp; Quetiapine (Hemifumarate) (Crm); 2-[2-(4-Dibenzo [B,F] [1,4]Thiazepin-11-Yl-1-Piperazinyl)Ethoxy]-Ethanol Fumarate
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Properties

Summary

Formula
C46H54N6O8S2
Molecular Mass
883.08600
Exact Mass
882.34400
PSA
221.80000
Logp
4.04660
IUPAC
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid
SMILES
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Nervous System Drugs

Chemical and Physical Properties

Melting Point
174-176 °C
Boiling Point
556.5 ºC
Flash Point
290.4 ºC
Appearance
White crystalline solid

Export information

HS Code
29349990
Export Rebate
10%
UN No.
3295
DG-Class
3
Risk Code
R22-50/53-52/53-39/23/24/25-23/24/25-11
Safety Label
Xn,N,T,F

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