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Dimethothiazine (mesylate)

CAT: 0804-HY-A0157ASize: 1 EachDry Ice: NoHazardous: No
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Description
Dimethothiazine mesylate is an orally active tricyclic anti-histamine, anti-5-HT agent with a high activity against decerebrate rigidity, a little sedative activity and little soporific action. Dimethothiazine mesylate can reduce or abolish the effects of both static and dynamic fusimotor activity on the muscle spindle in decerebrate cat. Dimethothiazine mesylate can be used to research hemicrania and spasticity[1][2][3].
CAS Number
13115-40-7
Product Name Alternative
Dimetotiazine (mesylate) ; Fonazine (mesylate)
UNSPSC
12352005
Target
5-HT Receptor; Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/dimethothiazine-mesylate.html
Smiles
O=S(O)(C)=O.O=S(C1=CC=C2SC3=C(N(CC(C)N(C)C)C2=C1)C=CC=C3)(N(C)C)=O
Molecular Formula
C20H29N3O5S3
Molecular Weight
487.66
References & Citations
[1]Nattero G, et al. Use of dimethothiazine in the prevention of hemicrania. Minerva Med. 1977 Mar 17;68 (13) :839-45.|[2]Maxwell DR, Rhodes KF. The effects of dimethothiazine on muscle spindle activity in the decerebrate cat. Br J Pharmacol. 1970 Jul;39 (3) :520-32.|[3]Griffiths MI, et al. The use of dimethothiazine in the treatment of childhood cerebral palsy. Dev Med Child Neurol. 1973 Feb;15 (1) :25-32.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

10H-Phenothiazine-2-sulfonamide, 10-(2-(dimethylamino)propyl)-N,N-dimethyl-, methanesulfonate (1:1)

Dimethothiazine mesylate is a sulfonamide, a methanesulfonate salt and a member of phenothiazines.

CAS Number13115-40-7
PubChem CID25715
IUPAC Name10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide;methanesulfonic acid
Molecular FormulaC20H29N3O5S3
Molecular Weight487.7
Topological Polar Surface Area140
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity668
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C.CS(=O)(=O)O
InChI
InChI=1S/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)
InChIKey
JGKVKXPDDVRUKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10H-Phenothiazine-2-sulfonamide, 10-(2-(dimethylamino)propyl)-N,N-dimethyl-, methanesulfonate (1:1)
CAS: 13115-40-7
CID: 25715
Formula: C20H29N3O5S3
MW: 487.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass487.12693455
Monoisotopic Mass487.12693455
Topological Polar Surface Area140 Ų
Heavy Atom Count31
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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