KEGG   DRUG: BenzhydrocodoneHelp
Entry
D10612                      Drug                                   

Name
Benzhydrocodone (USAN/INN)
Formula
C25H25NO4
Exact mass
403.1784
Mol weight
403.4703
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01850
Efficacy
Analgesic, Opioid receptor agonist
Comment
Active form of prodrug: Hydrocodone [DR:D08045]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10612  Benzhydrocodone (USAN/INN)
Prodrugs [br08324.html]
 D10612
Prodrugs [br08324.html]
 DG01850
BRITE hierarchy
Other DBs
CAS: 1259440-61-3
PubChem: 254741573
LinkDB All DBs
KCF data Show

ATOM        30
            1   N1y N    22.7621  -15.4269
            2   C1a C    23.7991  -16.5332
            3   C8y C    18.1976  -11.5540
            4   C8y C    18.1976  -12.7988
            5   C8y C    19.3733  -13.4904
            6   C8y C    20.4799  -12.7988
            7   C8x C    20.4799  -11.5540
            8   C8x C    19.3733  -10.8624
            9   C1z C    19.3733  -14.8045
            10  C1y C    20.4799  -15.4961
            11  C1y C    21.6556  -14.8045
            12  C1x C    21.6556  -13.4904
            13  C1y C    18.1976  -15.4961
            14  C2y C    18.1976  -16.8102
            15  C2x C    19.3733  -17.5018
            16  C1x C    20.4799  -16.8102
            17  O2x O    17.2985  -14.1129
            18  O2a O    17.0218  -10.8624
            19  C1x C    20.3416  -13.9054
            20  C1x C    22.7623  -13.9054
            21  C1a C    15.8460  -11.4849
            22  O7a O    17.0218  -17.5018
            23  C7a C    17.0218  -18.8159
            24  C8y C    15.8460  -19.5075
            25  O6a O    18.1976  -19.5075
            26  C8x C    14.6703  -18.8159
            27  C8x C    13.4945  -19.5075
            28  C8x C    13.4945  -20.8907
            29  C8x C    14.6703  -21.5823
            30  C8x C    15.8460  -20.8907
BOND        35
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     3   8 1
            8     5   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    6  12 1
            13    9  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   10  16 1
            18    4  17 1
            19    3  18 1
            20    9  19 1 #Up
            21   20  19 1
            22   18  21 1
            23   22  23 1
            24   23  24 1
            25   23  25 2
            26   24  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   24  30 1
            32   14  22 1
            33   13  17 1
            34    1  20 1
            35   11   1 1 #Up

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