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ChEBI
> Main
CHEBI:31909 - Nifekalant hydrochloride
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ChEBI Ontology
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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 (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
130656-51-8
CAS Registry Number
KEGG COMPOUND
Last Modified
21 November 2019