Basic information
- CAS
143393-27-5- Standard SMILES
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1- InChIKey
VYNIUBZKEWJOJP-UNMCSNQZSA-N- Molecular formula
- C22H24ClN3O2S
- Average molar mass
- 430 g/mol
- Monoisotopic mass
- 429.1277759
Overview
Azalanstat is a small molecule drug. Azalanstat has a monoisotopic molecular weight of 429.13 Da.
Names & identifiers
- Preferred name
- 4-((((2S,4S)-2-(2-(4-Chlorophenyl)ethyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)benzenamine
- IUPAC
- 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
- English name
- azalanstat
- Molecular formula
- C22H24ClN3O2S
- Molecular weight
- 429.96
Names & synonyms
Azalanstat143393-27-5RS-216072NL79NI1WS4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]anilineBenzenamine, 4-(((2-(2-(4-chlorophenyl)ethyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)-, (2S-cis)-4-[[[(2S,4S)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]benzenamineazalanstatum4-((((2S,4S)-2-(2-(4-Chlorophenyl)ethyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)benzenamine4-(((2S,4S)-2-(2-(4-chlorophenyl)ethyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methylsulfanyl)anilineRefChem:911939Azalanstat [INN]
Show more names
AzalastatAzalanstat mesylate4-((((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlorophenethyl)-1,3-dioxolan-4-yl)methyl)thio)anilineBenzenamine, 4-[[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]-4-[[[(2S,4S)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]benzenamine (ACI)
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 647.7 · 647.7±40.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 6.88 · 6.88±0.12(Predicted)
- FDA UNII
- 2 NL79NI1WS · 2NL79NI1WS
Chemistry & industry
Applications
UsesHypolipidemic.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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