2-(1-Carboxy-2-hydroxypropyl)-4-{[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid

Base Information

• Chemical Name: 2-(1-Carboxy-2-hydroxypropyl)-4-{[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
• CAS No.: 124190-28-9
• Molecular Formula: C17H27N3O6S
• Molecular Weight: 401.4778
• DSSTox Substance ID: DTXSID30924745
• Nikkaji Number: J369.995A,J562.870I
• Mol file: 124190-28-9.mol

Synonyms:H 4295;H-4295;ICI 213689;ICI-213,689;ICI-213689;ZM 213,689;ZM213689

Chemical Property of 2-(1-Carboxy-2-hydroxypropyl)-4-{[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.71E-21mmHg at 25°C
• Boiling Point: 678°Cat760mmHg
• Flash Point: 363.8°C
• Density: 1.52g/cm³
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 401.16205676
• Heavy Atom Count: 27
• Complexity: 640

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C