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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:73290 - PK-11195
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ChEBI Name
PK-11195
ChEBI ID
CHEBI:73290
Definition
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of
sec
-butylmethylamine
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Margaret Duesbury
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Read full article at Wikipedia
Formula
C21H21ClN2O
Net Charge
0
Average Mass
352.85700
Monoisotopic Mass
352.13424
InChI
InChI=1S/C21H21ClN2O/c1-
4-
14(2)
24(3)
21(25)
19-
13-
15-
9-
5-
6-
10-
16(15)
20(23-
19)
17-
11-
7-
8-
12-
18(17)
22/h5-
14H,4H2,1-
3H3
InChIKey
RAVIZVQZGXBOQO-UHFFFAOYSA-N
SMILES
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Roles Classification
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
PK-11195 (
CHEBI:73290
)
has role
antineoplastic agent (
CHEBI:35610
)
PK-11195 (
CHEBI:73290
)
is a
aromatic amide (
CHEBI:62733
)
PK-11195 (
CHEBI:73290
)
is a
isoquinolines (
CHEBI:24922
)
PK-11195 (
CHEBI:73290
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
PK-11195 (
CHEBI:73290
)
is a
monochlorobenzenes (
CHEBI:83403
)
IUPAC Name
N
-
sec
-butyl-1-(2-chlorophenyl)-
N
-methylisoquinoline-3-carboxamide
Synonyms
Sources
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
ChemIDplus
PK11195
ChemIDplus
RP 52028
ChemIDplus
Manual Xrefs
Databases
LSM-1532
LINCS
PK-11195
Wikipedia
View more database links
Registry Numbers
Types
Sources
4264456
Beilstein Registry Number
ChemIDplus
4264456
Reaxys Registry Number
Reaxys
85532-75-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22528948
PubMed citation
Europe PMC
23358477
PubMed citation
Europe PMC
23597562
PubMed citation
Europe PMC
23611861
PubMed citation
Europe PMC
Last Modified
24 February 2016