KEGG   DRUG: Dextromethorphan hydrobromide
Entry
D00848                      Drug                                   

Name
Dextromethorphan hydrobromide (USP);
Dextromethorphan hydrobromide hydrate (JP18);
Benylin DM (TN)
Formula
C18H25NO. HBr. H2O
Exact mass
369.1303
Mol weight
370.3244
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 2223
ATC code: R05DA09
Chemical structure group: DG01078
Product (DG01078): D00848<JP>
Product (mixture): D04340<JP> D10208<US> D11647<US> D11854<US>
Efficacy
Antitussive
Comment
Opium alkaloid, morhinan, nonnarcotic
Target
SIGMAR1 [HSA:10280] [KO:K20719]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07235  N-Methyl-D-aspartic acid (NMDA) receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA09 Dextromethorphan
      D00848  Dextromethorphan hydrobromide (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   222  Antitussives
    2223  Dextromethorphans
     D00848  Dextromethorphan hydrobromide (USP); Dextromethorphan hydrobromide hydrate (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  26 Antitussives and expectorants
   D00848  Dextromethorphan hydrobromide (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dextromethorphan
    D00848  Dextromethorphan hydrobromide (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D00848  Dextromethorphan hydrobromide (USP) <JP>
 Transporters
  Other transporters
   Auxiliary transport proteins (TC:8.A)
    SIGMAR1
     D00848  Dextromethorphan hydrobromide (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00848  Dextromethorphan hydrobromide hydrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00848
Other DBs
CAS: 6700-34-1
PubChem: 7847913
ChEBI: 4471
ChEMBL: CHEMBL1256818
DrugBank: DB00514
LigandBox: D00848
NIKKAJI: J555.248F
LinkDB
KCF data

ATOM        22
            1   O0  O    34.7054  -15.2068
            2   X   Br   34.2524  -13.3741
            3   C1x C    24.6400  -15.4000
            4   C1x C    24.6400  -16.8000
            5   C1x C    25.8524  -17.5000
            6   C1x C    27.0649  -16.8000
            7   C1y C    27.0649  -15.4000
            8   C1z C    25.8524  -14.7000
            9   C1y C    28.2773  -14.7000
            10  C1x C    28.2773  -13.3000
            11  C8y C    27.0649  -12.6000
            12  C8y C    25.8524  -13.3000
            13  C8x C    27.0649  -11.2000
            14  C8x C    25.8524  -10.5000
            15  C8y C    24.6400  -11.2000
            16  C8x C    24.6400  -12.6000
            17  O2a O    23.4276  -10.5000
            18  C1a C    22.2321  -11.1904
            19  C1x C    27.0649  -14.0000
            20  N1y N    29.4918  -15.4012
            21  C1x C    29.4918  -14.0012
            22  C1a C    30.8918  -15.4012
BOND        23
            1     3   4 1
            2     4   5 1
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     3   8 1
            7     7   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 2
            11    8  12 1
            12   11  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   12  16 1
            17   15  17 1
            18   17  18 1
            19    8  19 1 #Down
            20    9  20 1 #Down
            21   20  21 1
            22   21  19 1
            23   20  22 1

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