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Pentiapine

CAT: 1410-M26364-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M26364-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pentiapine is a novel inhibitor of dopamine release.
CAS Number
81382-51-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
299.4
Molecular Formula
C15H17N5S
Notes
Research use only, not for human use.
Receptor
H1 receptor| H2 receptor

Chemical Information

Pentiapine

Pentiapine is an aryl sulfide.

CAS Number81382-51-6
PubChem CID54742
IUPAC Name5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Molecular FormulaC15H17N5S
Molecular Weight299.4
XLogP3.5
Topological Polar Surface Area62
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity407
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24
InChI
InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
InChIKey
FACMWMBWGSPRKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentiapine
CAS: 81382-51-6
CID: 54742
Formula: C15H17N5S
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass299.12046674
Monoisotopic Mass299.12046674
Topological Polar Surface Area62 Ų
Heavy Atom Count21
Formal Charge0
Complexity407
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

Alternative Products

CatalogName
BUP08540-01Pentiapine
A12512-5Pentiapine 5mg
A12512-50Pentiapine 50mg
A12512-25Pentiapine 25mg
HY-100143RPentiapine (Standard)
A12512-100Pentiapine 100mg
A12512-10Pentiapine 10mg
A12512-1Pentiapine 1mg
A12512-10mM-DPentiapine 10mM * 1mL in DMSO

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