KEGG   DRUG: PentamorphoneHelp
Entry
D05416                      Drug                                   

Name
Pentamorphone (USAN/INN)
Formula
C22H28N2O3
Exact mass
368.21
Mol weight
368.4693
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Analgesic (narcotic)
Other DBs
CAS: 68616-83-1
PubChem: 47207088
ChEMBL: CHEMBL2107032
LigandBox: D05416
NIKKAJI: J363.018H
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1z C    29.6847  -17.2458
            2   C8y C    29.6847  -15.9248
            3   C1z C    30.8666  -17.9409
            4   C1y C    28.5723  -17.8715
            5   C1x C    30.8666  -16.6201
            6   C8y C    28.5723  -15.2991
            7   C8y C    30.8666  -15.2991
            8   C1y C    31.9790  -17.2458
            9   C2x C    30.8666  -19.1924
            10  O2x O    27.2514  -16.5504
            11  C5x C    28.5723  -19.1924
            12  C1x C    33.0913  -16.6201
            13  C8y C    28.5723  -13.9782
            14  C1x C    31.9790  -15.9943
            15  C8x C    30.8666  -13.9782
            16  N1y N    33.0913  -17.9409
            17  C2x C    29.6847  -19.8876
            18  O5x O    27.4599  -19.8876
            19  C8x C    29.7542  -13.3525
            20  O1a O    27.4599  -13.3525
            21  N1b N    32.1180  -18.9146
            22  C1a C    34.4870  -17.9409
            23  C1b C    32.1359  -20.3374
            24  C1b C    33.3337  -21.0093
            25  C1b C    34.5438  -20.2903
            26  C1b C    35.7612  -20.9727
            27  C1a C    36.9484  -20.2669
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 2
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   21  23 1
            28   23  24 1
            29   24  25 1
            30   25  26 1
            31   26  27 1

» Japanese version   » Back

DBGET integrated database retrieval system