Nifekalant Hydrochloride
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
Molecular Identity
Nifekalant Hydrochloride
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID: 122188
Nifekalant hydrochloride is an amine. It contains a Nifekalant.
2D Structure
Properties
C19H28ClN5O5
Molecular Formula
441.90
Molecular Weight
g/mol
441.1779
Exact Mass
Da
122
TPSA
Good oral absorption (< 140 A²)
3
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-])CCO.ClIsomeric SMILES
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.ClSynonyms(20)
Nifekalant hydrochloride130656-51-8DTXSID9046495TPP5R0MDQSDTXCID70264951,3-dimethyl-6-((2-(N-(2-hydroxyethyl)-3-(4-nitrophenyl)propylamino)ethylamino)-2,4(1H),3H)-pyrimidinedione hydrochlorideRefChem:927742Nifekalant (hydrochloride)NIFEKALANT HClMS 551MS-5516-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochlorideShinbit2,4(1H,3H)-Pyrimidinedione, 6-[[2-[(2-hydroxyethyl)[3-(4-nitrophenyl)propyl]amino]ethyl]amino]-1,3-dimethyl-, hydrochloride (1:1)Nifekalant hydrochloride (JAN)
Data from PubChem (NCBI)
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