KEGG   COMPOUND: C06921Help
Entry
C06921                      Compound                               

Name
Clorazepate;
Clorazepic acid
Formula
C16H11ClN2O3
Exact mass
314.0458
Mol weight
314.7231
Structure
Mol fileKCF fileDB search
Remark
Drug group: DG01218
Other DBs
CAS: 23887-31-2
PubChem: 9138
ChEBI: 3761
ChEMBL: CHEMBL1213252
NIKKAJI: J20.289D
LinkDB All DBs
KCF data Show

ATOM        22
            1   C2y C    23.6304  -14.3176
            2   C8y C    22.7867  -13.2059
            3   C8y C    23.1225  -11.8464
            4   N1x N    24.3860  -11.2672
            5   N2x N    25.0390  -14.3427
            6   C5x C    25.6421  -11.8907
            7   C1y C    25.9292  -13.2620
            8   C8x C    22.1134  -10.8761
            9   C8x C    20.7688  -11.2650
            10  C8y C    20.4329  -12.6244
            11  C8x C    21.4420  -13.5945
            12  X   Cl   19.0655  -13.0196
            13  C8y C    22.9947  -15.5698
            14  C8x C    21.5903  -15.5698
            15  C8x C    20.8890  -16.7847
            16  C8x C    21.5903  -17.9996
            17  C8x C    22.9947  -17.9996
            18  C8x C    23.6961  -16.7847
            19  C6a C    27.1441  -13.9635
            20  O6a O    28.3589  -13.2620
            21  O5x O    26.7535  -11.0313
            22  O6a O    27.1441  -15.3603
BOND        24
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   10  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 2
            21    7  19 1
            22   19  20 1
            23    6  21 2
            24   19  22 2

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