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Imitrodast

CAT: 1410-M36182-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M36182-02Size:5 mg
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Description
Imitrodast is a small molecule thromboxane A2 synthase (TXA2 synthase) inhibitor for the treatment of immune system disorders, respiratory disorders, and cardiovascular diseases, and can be used in studies of arterial thrombosis, asthma, and coronary vasospasm.
CAS Number
114686-12-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
260.31
Molecular Formula
C13H12N2O2S
Notes
Research use only, not for human use.
Receptor
Thrombin

Chemical Information

Imitrodast

Imitrodast is a small molecule drug. The usage of the INN stem '-trodast' in the name indicates that Imitrodast is a antiasthmatic thromboxane A2​-receptor antagonist. Imitrodast has a monoisotopic molecular weight of 260.06 Da.

CAS Number114686-12-3
PubChem CID65922
IUPAC Name2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
Molecular FormulaC13H12N2O2S
Molecular Weight260.31
XLogP1.7
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity372
SMILES
C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3
InChI
InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
InChIKey
KRBSZXUPPSXPAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imitrodast
CAS: 114686-12-3
CID: 65922
Formula: C13H12N2O2S
MW: 260.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.31
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass260.06194880
Monoisotopic Mass260.06194880
Topological Polar Surface Area83.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity372
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-105114-01Imitrodast
HY-105114AImitrodast (sodium)
GTR19273582-01Imitrodast sodium

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