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Desethoxy Quetiapine

CAT: 0804-HY-W151617-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W151617-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Desethoxy Quetiapine (Quetiapine hydroxy impurity) is an impurity of Quetiapine hydroxy.
CAS Number
329216-67-3
Product Name Alternative
Quetiapine hydroxy impurity
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)N4CCN(CC4)CCO
Molecular Formula
C19H21N3OS
Molecular Weight
339.46
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol

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CAS Number329216-67-3
PubChem CID10807021
IUPAC Name2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol
Molecular FormulaC19H21N3OS
Molecular Weight339.5
XLogP2.3
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity450
SMILES
C1CN(CCN1CCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2
InChIKey
OFLMIXVKBNAUIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol
CAS: 329216-67-3
CID: 10807021
Formula: C19H21N3OS
MW: 339.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass339.14053348
Monoisotopic Mass339.14053348
Topological Polar Surface Area64.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-G0014S-01Quetiapine Sulfoxide-d8
HY-B0031S2Quetiapine-d8 (fumarate)
HY-G0014BQuetiapine sulfoxide hydrochloride
HY-B0031S4Quetiapine (hemifumarate) -d8
HY-B0031S3-01Quetiapine-d8 (hemifumarate)

Alternative Products

CatalogName
CS-O-14070Desethoxy Quetiapine
T84947-01Desethoxy Quetiapine hydrochloride
RM-D331006-013'-Desethoxy Drotaverine
TRC-D289140-100MG3’-Desethoxy-drotaverine
TRC-D114480-250MGDesethoxy Methoxy Bilastine
T0162-01Quetiapine
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