MetaADEDB 2.0 @ LMMD
4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
(FLAQQSHRLBFIEZ-UHFFFAOYSA-N)
Structure
SMILES
O=NN(CCCC(=O)c1cccnc1)C
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.229
Log P:
1.6577
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
0
TPSA:
62.63
CAS Number(s):
64091-50-5; 64091-91-4
Synonym(s)
1.
4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
2.
4'-(nitrosomethylamino)-1-(3-pyridyl)-1-butanone
3.
4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone
4.
4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone
5.
4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone
6.
NNK cpd
External Link(s)
MeSHC016583
PubChem Compound47289
ChEBI32692
CHEMBLCHEMBL2311069
KEGGcpd:C16453
ZINC5239470
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Adenocarcinoma17145898
19336973
25221795		CTD
2Adenoma

View details

8912846
16176798
17145898
21167638
26864819
 		CTD
3Chemical and Drug Induced Liver Injury22331495CTD
4Chromosome Breakage26231820CTD
5Hyperplasia19336973
26864819		CTD
6Inflammation21868532CTD
7Liver Neoplasms, Experimental7356512CTD
8Liver neoplasms15890375CTD
9Lung Neoplasms

View details

7356512
7548761
8912846
9255578
9659588
11301052
12438228
12511591
14755239
15172992
15893417
16061637
16401635
17139156
17145898
17459420
18508827
18813816
19336973
19408892
19931552
21167638
21868532
22687995
23692979
24646707
25221795
26864819
27728767
 		CTD
10Neoplasm Invasiveness30236600
30259641		CTD
11Neoplasms, Experimental8912846
23692979		CTD
12Neoplasms21732699CTD
13Nose Neoplasms7356512CTD
14Stomach Neoplasms18805435CTD
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