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CHEBI:94575 - Nifekalant

ChEBI IDCHEBI:94575
ChEBI NameNifekalant
Stars
Last Modified21 November 2019
DownloadsMolfile
FormulaC19H27N5O5
Net Charge0
Average Mass405.455
Monoisotopic Mass405.20122
SMILESCn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3
InChIKeyOEBPANQZQGQPHF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nifekalant (CHEBI:94575) is a amine (CHEBI:32952)
Incoming Relation(s)
Nifekalant hydrochloride (CHEBI:31909) has part Nifekalant (CHEBI:94575)
IUPAC Name 
6-[(2-{(2-hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Manual XrefsDatabases
LSM-5458LINCS
1923DrugCentral
4331ChemSpider
Registry NumbersSources
CAS:130636-43-0DrugCentral