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Pipazethate

CAT: 0013-GTR19193103-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193103-01Size:25 mg
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Description
Pipipyrazine is a non-narcotic small molecule compound used in research as an oral cough suppressant. It is applied in pharmacological studies investigating antitussive mechanisms and has been utilized in both in vitro receptor binding assays and in vivo animal models of cough reflex.
CAS Number
2167-85-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OCCOCCN1CCCCC1) (=O) N2C=3C (SC=4C2=NC=CC4) =CC=CC3
Molecular Formula
C21H25N3O3S
Molecular Weight
399.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pipazethate

Pipazetate is an aryl sulfide.

CAS Number2167-85-3
PubChem CID22425
IUPAC Name2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Molecular FormulaC21H25N3O3S
Molecular Weight399.5
XLogP3.4
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity503
SMILES
C1CCN(CC1)CCOCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
InChIKey
DTVJXCOMJLLMAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pipazethate
CAS: 2167-85-3
CID: 22425
Formula: C21H25N3O3S
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass399.16166284
Monoisotopic Mass399.16166284
Topological Polar Surface Area80.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity503
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
BA6692-1Pipazethate
T88626-01Pipazethate hydrochloride
414970Pipazethate HCl
HY-W742300Pipazethate (hydrochloride)
AR-P02020-01Pipazetate HCl (Pipazethate HCl)

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