CHEBI:31909 - Nifekalant hydrochloride

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ChEBI Name Nifekalant hydrochloride
ChEBI ID CHEBI:31909
Stars This entity has been manually annotated by a third party.
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Formulae C19H27N5O5.HCl
C19H28ClN5O5
Net Charge 0
Average Mass 441.910
Monoisotopic Mass 441.17790
InChI InChI=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
InChIKey YPVGGQKNWAKOPX-UHFFFAOYSA-N
SMILES Cl.C=1C=C(CCCN(CCNC2=CC(N(C(N2C)=O)C)=O)CCO)C=CC1[N+](=O)[O-]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Nifekalant hydrochloride (CHEBI:31909) has part Nifekalant (CHEBI:94575)
Nifekalant hydrochloride (CHEBI:31909) is a amine (CHEBI:32952)
Synonyms Sources
MS 551 KEGG COMPOUND
Nifekalant hydrochloride KEGG COMPOUND
Shinbit (TN) KEGG COMPOUND
Manual Xref Database
D01856 KEGG DRUG
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Registry Number Type Source
130656-51-8 CAS Registry Number KEGG COMPOUND
Last Modified
21 November 2019