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CHEBI:31909 - Nifekalant hydrochloride

ChEBI IDCHEBI:31909
ChEBI NameNifekalant hydrochloride
Stars
Last Modified21 November 2019
DownloadsMolfile
FormulaC19H27N5O5.HCl
Net Charge0
Average Mass441.916
Monoisotopic Mass441.17790
SMILESCl.Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H27N5O5.ClH/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;1H
InChIKeyYPVGGQKNWAKOPX-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 hydrochloride (CHEBI:31909) has part Nifekalant (CHEBI:94575)
Nifekalant hydrochloride (CHEBI:31909) is a amine (CHEBI:32952)
Synonyms  Source
Nifekalant hydrochlorideKEGG COMPOUND
MS 551KEGG COMPOUND
Shinbit (TN)KEGG COMPOUND
Manual XrefsDatabases
D01856KEGG DRUG
Registry NumbersSources
CAS:130656-51-8KEGG COMPOUND