Alagebrium Chloride
Basic information
- CAS
341028-37-3- Standard SMILES
Cc1sc[n+](CC(=O)c2ccccc2)c1C.[Cl-]- InChIKey
MKOMESMZHZNBIZ-UHFFFAOYSA-M- Molecular formula
- C13H14ClNOS
- Average molar mass
- 267.77 g/mol
- Monoisotopic mass
- 267.0484629
Names & identifiers
- Preferred name
- Alagebrium Chloride
- IUPAC
- 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride
- English name
- Alagebrium chloride
- Molecular formula
- C13H14ClNOS
- Molecular weight
- 267.77
Names & synonyms
Alagebrium chloride341028-37-3Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chlorideALT711cloruro de alagebriochlorure d'alagebriumUNII-79QS8K2877Alagebrium chloride [USAN:INN]4,5-Dimethyl-3-(2-oxo-2-phenylethyl)thiazolium chloride79QS8K2877Alagebrium chloride (USAN)ALAGEBRIUM CHLORIDE [MI]
Show more names
2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanone chlorideMancef250g - 1kgALT-711,AlagebriuM(Alagebrium) (thiazolium salt)Alagebrium chloride, 10 mM in DMSODimethyl-3-(2-oxo-2-phenyl)-chloride4,5 diMethyl 3-2 (2 oxo-2 phenyl) chloride
ALAGEBRIUM CHLORIDE [INN]ALAGEBRIUM CHLORIDE [USAN]4,5-dimethyl-3-(2-oxo-2-phenylethyl)-thiazolium chlorideTHIAZOLIUM, 4,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL), CHLORIDEalagebrium chloridumRefChem:1104724,5-Dimethyl-3-(2-oxo-2-phenylethyl)thiazol-3-ium chlorideALT-711
Database identifiers
- CAS
341028-37-3- PubChem CID
- 216306
- DTXSID
DTXSID60955648- ChEMBL
CHEMBL2107309- UNII
- 79QS8K2877
- EC Number
- 636-473-0
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 212 °C · 212 °C(dec.)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Merck
- 14 · 14,203
- InChI
- InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1
- InChIKey
- MKOMESMZHZNBIZ-UHFFFAOYSA-M
- SMILES
- C([N+]1=CSC(C)=C1C)C(C1C=CC=CC=1)=O.[Cl-]
- CAS DataBase Reference
- 341028 · 341028-37-3(CAS DataBase Reference)
- FDA UNII
- 79 QS8K2877 · 79QS8K2877
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- HS Code
- 2934.99 · 2934.99.4400
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 2934.99.4400
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesPrevention and treatment of cardiovascular complications of aging, diabetes, and end stage renal disease; diabetic multisymptom pathology (other than cardiovascular) including retinopathy, neuphropathy, neuropathy, and ulcers (advanced glycosylation endpr.
UsesAlagebrium Chloride is used in the treatment of obesity resulting from a diet high in both fat and AGE that causes renal impairment in animals. Alagebrium inhibits AGE-mediated formation of reactive oxygen species (ROS), extracellular signal-regulated kinase phosphorylation, and cyclooxygenase-2 expression.
Related reactions
0 records
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Compound notes
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