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Dacemazine

CAT: 0013-GTR19194847-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194847-01Size:25 mg
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Description
Dacemazine
CAS Number
518-61-6
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CN (C) C) (=O) N1C=2C (SC=3C1=CC=CC3) =CC=CC2
Molecular Formula
C16H16N2OS
Molecular Weight
284.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CAS Number518-61-6
PubChem CID68846
IUPAC Name2-(dimethylamino)-1-phenothiazin-10-ylethanone
Molecular FormulaC16H16N2OS
Molecular Weight284.4
XLogP3.1
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3
InChIKey
HKUCYAHWPVLPFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CAS: 518-61-6
CID: 68846
Formula: C16H16N2OS
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass284.09833431
Monoisotopic Mass284.09833431
Topological Polar Surface Area48.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
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
HY-119913Dacemazine
T23949-01Dacemazine hydrochloride
HY-119913ADacemazine (hydrochloride)

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