KEGG   COMPOUND: C11805Help
Entry
C11805                      Compound                               

Name
Loxtidine;
Lavoltidine
Formula
C19H29N5O2
Exact mass
359.2321
Mol weight
359.4659
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 76956-02-0
PubChem: 13969
ChEBI: 6550
ChEMBL: CHEMBL2110857
NIKKAJI: J32.883I
LinkDB All DBs
KCF data Show

ATOM        26
            1   N1b N    35.9298  -18.7037
            2   C8x C    27.4551  -16.6129
            3   C8y C    27.4531  -18.0166
            4   C8x C    28.6667  -18.7207
            5   C8y C    29.8763  -18.0157
            6   C8x C    29.8714  -16.6068
            7   C8x C    28.6637  -15.9162
            8   O2a O    31.0903  -18.7178
            9   C1b C    32.3003  -18.0144
            10  C1b C    33.5100  -18.7108
            11  C1b C    34.7199  -18.0073
            12  C1b C    26.2393  -18.7190
            13  N1y N    25.0267  -18.0147
            14  C1x C    25.0385  -16.6137
            15  C1x C    23.8330  -15.9167
            16  C1x C    22.6150  -16.6061
            17  C1x C    22.6106  -18.0075
            18  C1x C    23.8241  -18.7194
            19  C8y C    37.1408  -17.9963
            20  N4y N    37.1408  -16.5963
            21  C1a C    35.9477  -15.9073
            22  N5x N    38.4723  -18.4290
            23  C8y C    39.2952  -17.2963
            24  N5x N    38.4723  -16.1637
            25  C1b C    40.6700  -17.2962
            26  O1a O    41.3726  -16.0791
BOND        28
            1     3  12 1
            2     4   5 2
            3    12  13 1
            4    13  14 1
            5     5   6 1
            6     6   7 2
            7     7   2 1
            8    13  18 1
            9    14  15 1
            10   15  16 1
            11   16  17 1
            12   17  18 1
            13    1  19 1
            14    8   9 1
            15    9  10 1
            16    2   3 2
            17   10  11 1
            18   11   1 1
            19    8   5 1
            20    3   4 1
            21   19  20 1
            22   20  21 1
            23   19  22 2
            24   22  23 1
            25   23  24 2
            26   20  24 1
            27   23  25 1
            28   25  26 1

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