Basic information
- Standard SMILES
CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@H](CC(=O)O)C1=O- InChIKey
PYZOVVQJTLOHDG-HXUWFJFHSA-N- Molecular formula
- C23H32N4O4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.24235551
Names & identifiers
- Preferred name
- R-Lotrafiban
- IUPAC
- 2-[(2R)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Names & synonyms
R-LotrafibanDTXSID2057603CHEMBL356986SCHEMBL6673128DTXCID4032407PYZOVVQJTLOHDG-HXUWFJFHSA-NTox21_113990BDBM50054830NCGC00319023-02(R)-7-[(4,4'-bipiperidin-1-yl)carbonyl]-2,3,4,5-tetrahydro-4-methyl-3-oxo-1H-1,4-benzodiazepine-2-acetic acid[(2R)-7-([4,4'-Bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid[(R)-7-([4,4'']Bipiperidinyl-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid
Database identifiers
- PubChem CID
- 10693833
- DTXSID
DTXSID2057603- ChEMBL
CHEMBL356986
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 672
Related reactions
1 records
Compound notes
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