Basic information
- CAS
171049-14-2- Standard SMILES
CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O- InChIKey
PYZOVVQJTLOHDG-FQEVSTJZSA-N- Molecular formula
- C23H32N4O4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.24235551
Overview
Lotrafiban is a N-acylpiperidine.
Names & identifiers
- Preferred name
- Lotrafiban
- IUPAC
- 2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Names & synonyms
Lotrafiban171049-14-2DTXSID7057602KLQ306I83XSB-214857DTXCID5031391lotrafibanumRefChem:154126SB214857Lotrafiban [INN]2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acidSB 214857
Show more names
CHEMBL356301(S)-2-(7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl)acetic acid[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acidUNII-KLQ306I83XLOTRAFIBAN [MI]SCHEMBL29596orb1687693CHEBI:230817
Database identifiers
- CAS
171049-14-2- PubChem CID
- 80274
- DTXSID
DTXSID7057602- ChEMBL
CHEMBL356301- ChEBI
CHEBI:230817- UNII
- KLQ306I83X
- Nikkaji
- J835.875C
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
0 records
No reaction records under the current filter.
Compound notes
Loading…