KEGG   DRUG: CiramadolHelp
Entry
D03523                      Drug                                   

Name
Ciramadol (USAN/INN)
Formula
C15H23NO2
Exact mass
249.1729
Mol weight
249.3486
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01995
Efficacy
Analgesic
Comment
an opioid agonist/antagonist
Other DBs
CAS: 63269-31-8
PubChem: 17397656
ChEMBL: CHEMBL2104132
LigandBox: D03523
NIKKAJI: J19.294E
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    20.3000  -23.8000
            2   C8x C    20.3000  -25.2000
            3   C8x C    21.5124  -25.9000
            4   C8x C    22.7249  -25.2000
            5   C8y C    22.7249  -23.8000
            6   C8x C    21.5124  -23.1000
            7   C1c C    23.9560  -23.0890
            8   C1y C    25.1612  -23.7847
            9   C1x C    25.1616  -25.1996
            10  C1x C    26.3742  -25.8993
            11  C1x C    27.5865  -25.1989
            12  C1x C    27.5860  -23.7839
            13  C1y C    26.3734  -23.0843
            14  N1c N    23.9557  -21.7001
            15  O1a O    26.3732  -21.7001
            16  C1a C    22.7314  -20.9934
            17  C1a C    25.1562  -21.0066
            18  O1a O    19.0876  -23.1000
BOND        19
            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   12  13 1
            14    8  13 1
            15    7  14 1 #Down
            16   13  15 1 #Down
            17   14  16 1
            18   14  17 1
            19    1  18 1

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