Egyt 2760
Basic information
- CAS
106133-22-6- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.c1ccc(CN2CCNCC2)cc1- InChIKey
QFSTZLZUVSCZMK-LVEZLNDCSA-N- Molecular formula
- C19H24N2O8
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.15326573
Names & identifiers
- Preferred name
- Egyt 2760
- IUPAC
- 1-benzylpiperazine;bis((E)-but-2-enedioic acid)
Names & synonyms
Egyt 2760RefChem:9208531-Benzylpiperazine difumarateDTXSID7048902106133-22-6N-Benzoylpiperazine fumarateSCHEMBL1395281CHEMBL3188620DTXCID0028828Tox21_112882CAS-106133-22-6(2E)-But-2-enedioic acid--1-benzylpiperazine (2/1)
Database identifiers
- CAS
106133-22-6- PubChem CID
- 6442928
- DTXSID
DTXSID7048902- ChEMBL
CHEMBL3188620
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…