KEGG   DRUG: DemoxepamHelp
Entry
D02600                      Drug                                   

Name
Demoxepam (USAN/INN)
Formula
C15H11ClN2O2
Exact mass
286.0509
Mol weight
286.713
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01835  Benzodiazepine sedative-hypnotics
Efficacy
Anticonvulsant, Minor tranquilizer
Comment
Benzodiazepine derivative
Interaction
Drug interaction
Other DBs
CAS: 963-39-3
PubChem: 17396770
ChEMBL: CHEMBL1597677
LigandBox: D02600
NIKKAJI: J7.197H
LinkDB All DBs
KCF data Show

ATOM        20
            1   C2y C    33.0371  -19.4726
            2   C8y C    32.1948  -18.3628
            3   C8y C    32.5301  -17.0057
            4   N1x N    33.7914  -16.4274
            5   N2y N    34.4432  -19.4278 #+
            6   C5x C    35.0452  -17.0499
            7   C1x C    35.3318  -18.4189
            8   C8x C    31.5228  -16.0371
            9   C8x C    30.1805  -16.4252
            10  C8y C    29.8452  -17.7823
            11  C8x C    30.8525  -18.7506
            12  O5x O    36.0896  -16.1153
            13  X   Cl   28.4801  -18.1768
            14  C8y C    32.3153  -20.6725
            15  O3a O    35.1215  -20.7229 #-
            16  C8x C    30.9150  -20.6725
            17  C8x C    30.2148  -21.8852
            18  C8x C    30.9150  -23.0979
            19  C8x C    32.3153  -23.0979
            20  C8x C    33.0154  -21.8852
BOND        22
            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    6  12 2
            14   10  13 1
            15    1  14 1
            16    5  15 1
            17   14  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   14  20 2

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