Metiapril

Base Information

• Chemical Name: Metiapril
• CAS No.: 169551-84-2
• Molecular Formula: C12H19 N O4 S
• Molecular Weight: 273.3486
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50378185
• ChEMBL ID: CHEMBL4542250
• Mol file: 169551-84-2.mol

Synonyms:metiapril;CHEMBL4542250;DTXSID50378185;(2S,6S)-1-(3-acetylsulfanylpropanoyl)-6-methylpiperidine-2-carboxylic acid;CS-0315117;AE-641/02349027;cis-1-(3'-Acetylthiopropionyl)-6-methylpipecolinic acid;(2S,6S)-1-(3-(acetylthio)propanoyl)-6-methylpiperidine-2-carboxylic acid

Chemical Property of Metiapril

Chemical Property:

• Vapor Pressure: 2.77E-10mmHg at 25°C
• Boiling Point: 473.8°C at 760 mmHg
• Flash Point: 240.4°C
• PSA: 99.98000
• Density: 1.233g/cm³
• LogP: 1.44830
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 273.10347926
• Heavy Atom Count: 18
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

1-[3-(Acetylsulfanyl)propanoyl]-6-methyl-2-piperidinecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCC(N1C(=O)CCSC(=O)C)C(=O)O
• Isomeric SMILES: C[C@H]1CCC[C@H](N1C(=O)CCSC(=O)C)C(=O)O