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Dazoxiben hydrochloride

CAT: 1568-C07242Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07242Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74226-22-5
Synonyms
Dazoxiben HCl
SKU
C07242-5mg
Target
PGES
Applications
Endocrinology & Hormones
Smiles
C1=CC (=CC=C1C (=O) O) OCCN2C=CN=C2.Cl
Molecular Formula
C12H13ClN2O3
Additionnal Information
Dazoxiben hydrochloride (HCl) is a potent, selevtive and orally active inhibitor of thromboxane (TX) synthase. Dazoxiben inhibits TXB2 production in clotting human whole blood with IC50 of 0.3 μM and causes parallel enhancement of PGE2 production.
Storage Conditions
3 years -20°C powder

Chemical Information

Dazoxiben Hydrochloride

See also: Dazoxiben (has active moiety).

CAS Number74226-22-5
PubChem CID53000
IUPAC Name4-(2-imidazol-1-ylethoxy)benzoic acid;hydrochloride
Molecular FormulaC12H13ClN2O3
Molecular Weight268.69
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2.Cl
InChI
InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H
InChIKey
PVKDFUXBDJPRGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dazoxiben Hydrochloride
CAS: 74226-22-5
CID: 53000
Formula: C12H13ClN2O3
MW: 268.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass268.0614700
Monoisotopic Mass268.0614700
Topological Polar Surface Area64.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
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