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Dioxopromethazine

CAT: 0013-GTR19191600-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191600-02Size:200 mg
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Description
Dioxopromethazine is a small molecule compound utilized in research for its antitussive and expectorant properties, as well as its local anesthetic effects. It serves as a tool in pharmacological studies, including in vitro receptor binding assays and in vivo models of cough reflex and airway secretion.
CAS Number
13754-56-8
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
CC (CN1c2ccccc2S (=O) (=O) c2ccccc12) N (C) C
Molecular Formula
C17H20N2O2S
Molecular Weight
316.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dioxopromethazine

RN given refers to parent cpd; structure

CAS Number13754-56-8
PubChem CID63031
IUPAC Name1-(5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-2-amine
Molecular FormulaC17H20N2O2S
Molecular Weight316.4
XLogP3.5
Topological Polar Surface Area49
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity455
SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H20N2O2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)22(20,21)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey
FDXKCOBAFGSMDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dioxopromethazine
CAS: 13754-56-8
CID: 63031
Formula: C17H20N2O2S
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass316.12454906
Monoisotopic Mass316.12454906
Topological Polar Surface Area49 Ų
Heavy Atom Count22
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS578476Dioxopromethazine
HY-107787A-01Dioxopromethazine hydrochloride
HY-107787AR-01Dioxopromethazine hydrochloride (Standard)

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