Dofequidar Fumarate
tris((E)-but-2-enedioic acid);bis(1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone)
Molecular Identity
Dofequidar Fumarate
tris((E)-but-2-enedioic acid);bis(1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone)
PubChem CID: 11979781
2D Structure
Properties
C72H74N6O18
Molecular Formula
1311.40
Molecular Weight
g/mol
1310.5060
Exact Mass
Da
356
TPSA
May have limited oral absorption
8
H-Bond Donors
22
H-Bond Acceptors
771
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1N(CCN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC(O)COC4=CC=CC5=C4C=CC=N5.C1N(CCN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC(O)COC4=CC=CC5=C4C=CC=N5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)OSynonyms(17)
158681-49-3MS-2093DM793MFSEMS 2094-(Diphenylacetyl)-alpha-((5-quinolinyloxy)methyl)-1-piperazineethanol (E)-2-butenedioate (2:3) (salt)1-Piperazineethanol, 4-(diphenylacetyl)-alpha-((5-quinolinyloxy)methyl)-, (E)-2-butenedioate (2:3) (salt)RefChem:135563Dofequidar FumarateMS209UNII-3DM793MFSEMS-209 fumarateSCHEMBL1649699SCHEMBL29596860GLXC-071931-[4-(2-Hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone fumarate (2:3)
Data from PubChem (NCBI)
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Trials and conditions connected to Dofequidar Fumarate
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