7-Hydroxyquetiapine
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7-Hydroxyquetiapine
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CAS No:
139079-39-3
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Formula:
C21H25N3O3S
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Chemical Name:
7-Hydroxyquetiapine
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Synonyms:
Dibenzo[b,f][1,4]thiazepin-7-ol,11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-;11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol;ICI 214227;7-Hydroxyquetiapine
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CAS No:
Characteristics
93.8
1.87300
1.33±0.1 g/cm3(Predicted)
219-221 °C
612.4±65.0 °C(Predicted)
9℃
1.666
-20°C Freezer
7.5E-16mmHg at 25°C
Safety Information
UN1230 - class 3 - PG 2 - Methanol, solution
1
11-23/24/25-39/23/24/25
16-36/37-45
F,T
P210-P260-P280-P301 + P310-P311
H225-H301 + H311 + H331-H370
Drug Information
7-Hydroxy Quetiapine is a known human metabolite of quetiapine.
2-(2-(7-hydroxy-4-dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
7-Hydroxyquetiapine Use and Manufacturing
A metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic
Computed Properties
Molecular Weight:399.5
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.16166284
Monoisotopic Mass:399.16166284
Topological Polar Surface Area:93.8
Heavy Atom Count:28
Complexity:527
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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