Products for Research Use Only
RegisterLogin

Imitrodast

CAT: 0127-BUP03934-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP03934-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
114686-12-3
Purity
=98%
Smiles
C(C=1SC2=C(C1)CCC(C(O)=O)=C2)N3C=CN=C3

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

Popular Products