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Tiaramide (hydrochloride)

CAT: 0804-HY-13405-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13405-01Size:1 mg
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Description
Tiaramide (RHC 2592-A) hydrochloride is an analgesic agent with antiallergic activity, and is also a non-steroidal, anti-inflammatory compound. Tiaramide hydrochloride inhibits histamine release[1][2].
CAS Number
35941-71-0
Product Name Alternative
RHC 2592-A
UNSPSC
12352005
Hazard Statement
H318
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/tiaramide-hydrochloride.html
Purity
98.70
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C1SC2=CC=C(Cl)C=C2N1CC(N3CCN(CCO)CC3)=O.Cl
Molecular Formula
C15H19Cl2N3O3S
Molecular Weight
392.30
Precautions
H318
References & Citations
[1]Khandwala A, et al. Antiallergic activity of tiaramide (RHC 2592-A) . Int Arch Allergy Appl Immunol. 1982;69 (2) :159-68. |[2]Noguchi H, et al. Disposition and metabolic fate of tiaramide hydrochloride, a new anti-inflammatory agent, in the rat. Xenobiotica. 1977 Aug;7 (8) :491-503.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tiaramide Hydrochloride

Tiaramide hydrochloride is a member of benzothiazoles.

CAS Number35941-71-0
PubChem CID443949
IUPAC Name5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one;hydrochloride
Molecular FormulaC15H19Cl2N3O3S
Molecular Weight392.3
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity459
SMILES
C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O.Cl
InChI
InChI=1S/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H
InChIKey
UKNGDQSYPNBJAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiaramide Hydrochloride
CAS: 35941-71-0
CID: 443949
Formula: C15H19Cl2N3O3S
MW: 392.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass391.0524180
Monoisotopic Mass391.0524180
Topological Polar Surface Area89.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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