(3S)-2'-[(4-Bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-A]pyrazine]-1',2,3',5-tetrone

Base Information

• Chemical Name: (3S)-2'-[(4-Bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-A]pyrazine]-1',2,3',5-tetrone
• CAS No.: 147254-65-7
• Molecular Formula: C17H11 Br F N3 O4
• DSSTox Substance ID: DTXSID001106847
• Nikkaji Number: J1.030.858E
• Pharos Ligand ID: VYWFRGDFCKFV
• ChEMBL ID: CHEMBL335776
• Mol file: 147254-65-7.mol

Synonyms:2-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-4-spiro-3'-pyrrolidine-1.2',3,5'-tetrone;AS 3201;AS-3201;ranirestat;SX 3030;SX 3202;SX-3030;SX-3202

Chemical Property of (3S)-2'-[(4-Bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-A]pyrazine]-1',2,3',5-tetrone

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 418.99170
• Heavy Atom Count: 26
• Complexity: 689

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F
• Isomeric SMILES: C1C(=O)NC(=O)[C@]12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F