Molecular Identity
Nifekalant
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID: 4486
Nifekalant is an amine.
2D Structure
Properties
C19H27N5O5
Molecular Formula
405.40
Molecular Weight
g/mol
405.2012
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
613
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCOIsomeric SMILES
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCOSynonyms(20)
nifekalant130636-43-05VZ7GZM43EDTXSID70483746-((2-((2-Hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyluracilnifekalantumRefChem:165783DTXCID3028348Nifekalant [INN]6-((2-((2-Hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dioneCHEMBL3608616-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dioneNIFEKALANT HYDROCHLORIDE [JAN]NCGC00164637-01
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nifekalant
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