Dazoxiben Hydrochloride
Basic information
- CAS
74226-22-5- Standard SMILES
Cl.O=C(O)c1ccc(OCCn2ccnc2)cc1- InChIKey
PVKDFUXBDJPRGU-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Overview
See also: Dazoxiben (has active moiety).
Names & identifiers
- Preferred name
- Dazoxiben Hydrochloride
- IUPAC
- 4-(2-imidazol-1-ylethoxy)benzoic acid;hydrochloride
- English name
- UK-37248
- Molecular formula
- C12H13ClN2O3
- Molecular weight
- 268.69622
Names & synonyms
Dazoxiben hydrochloride74226-22-5Dazoxiben HCl4-(2-(1H-Imidazol-1-yl)ethoxy)benzoic acid hydrochlorideG5AI939LWFUK-37248-01UK-37,248-01DTXSID40225215BENZOIC ACID, 4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-, MONOHYDROCHLORIDE4-[2-(1H-Imidazol-1-yl)ethoxy]benzoic Acid HydrochlorideRefChem:131045DTXCID40147706
Show more names
UK-37248Dazoxiben, 10 mM in DMSODazoxiben,Inhibitor,inhibit4-(2-(1H-Imidazol-1-yl)ethoxy)benzoic acid hydrochloride , Dazoxiben HCl
Dazoxiben hydrochloride [USAN]p-(2-Imidazol-1-ylethoxy)benzoic acid monohydrochlorideMLS000028316MFCD004756634-[2-(1-imidazolyl)ethoxy]benzoic acid hydrochlorideSMR0000593394-(2-imidazol-1-ylethoxy)benzoic acid;hydrochlorideCHEMBL537708
Database identifiers
- CAS
74226-22-5- PubChem CID
- 53000
- DTXSID
DTXSID40225215- ChEMBL
CHEMBL537708- UNII
- G5AI939LWF
Properties
Computed structural properties
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 230 · 230-235 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 58 · DMSO:58.0(Max Conc. mg/mL);215.86(Max Conc. mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 5 AI939LWF · G5AI939LWF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesAntithrombotic.
Related reactions
1 records
Compound notes
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