KEGG   DRUG: Nicametate
Entry
D08269                      Drug                                   
Name
Nicametate (INN)
Formula
C12H18N2O2
Exact mass
222.1368
Mol weight
222.28
Structure
Simcomp
Remark
Chemical structure group: DG01515
Efficacy
Vasodilator
Comment
Nicotinic acid derivative
Other DBs
CAS: 3099-52-3
PubChem: 96024956
LigandBox: D08269
NIKKAJI: J7.680E
LinkDB
KCF data

ATOM        16
            1   C8x C    19.9500  -17.5700
            2   N5x N    18.6900  -18.2700
            3   C8x C    18.6900  -19.6700
            4   C8x C    19.9500  -20.3700
            5   C8x C    21.1400  -19.7400
            6   C8y C    21.1400  -18.3400
            7   C7a C    22.3300  -17.6400
            8   O7a O    23.5200  -18.3400
            9   C1b C    24.7800  -17.6400
            10  C1b C    25.9700  -18.3400
            11  N1c N    27.1600  -17.6400
            12  C1b C    28.3500  -18.3400
            13  C1a C    29.6100  -17.6400
            14  O6a O    22.3300  -16.2400
            15  C1b C    27.1600  -16.2400
            16  C1a C    28.3500  -15.5400
BOND        16
            1     4   5 1
            2    11  12 1
            3     5   6 2
            4    12  13 1
            5     6   1 1
            6     7  14 2
            7    11  15 1
            8     6   7 1
            9    15  16 1
            10    7   8 1
            11    1   2 2
            12    8   9 1
            13    2   3 1
            14    9  10 1
            15    3   4 2
            16   10  11 1

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