KEGG   COMPOUND: C19603
Entry
C19603                      Compound                               

Name
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;
NNAL-N-oxide
Formula
C10H15N3O3
Exact mass
225.1113
Mol weight
225.2444
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Other DBs
CAS: 85352-99-4
PubChem: 124490272
ChEBI: 82589
KCF data

ATOM        16
            1   N5y N    18.6737  -19.7693 #+
            2   C8x C    18.6737  -21.1664
            3   C8x C    19.8836  -21.8650
            4   C8x C    21.0937  -21.1664
            5   C8y C    21.0937  -19.7693
            6   C8x C    19.8836  -19.0707
            7   C1c C    22.3286  -19.0707
            8   C1b C    23.5386  -19.7693
            9   C1b C    24.7485  -19.0707
            10  C1b C    25.9584  -19.7693
            11  N1c N    27.1684  -19.0707
            12  C1a C    28.3783  -19.7693
            13  O1a O    22.3348  -17.6739
            14  N2b N    27.1684  -17.6739
            15  O3a O    28.3991  -16.9630
            16  O3a O    17.4633  -19.0704 #-
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 2
            16    1  16 1

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