KEGG   DRUG: Doxylamine succinateHelp
Entry
D02327                      Drug                                   

Name
Doxylamine succinate (USP);
Decapryn (TN)
Formula
C17H22N2O. C4H6O4
Exact mass
388.1998
Mol weight
388.4574
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C19414
ATC code: R06AA09
Chemical structure group: DG01096
Product (mixture): D10357<US>
Efficacy
Sedative-hypnotic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA09 Doxylamine
      D02327  Doxylamine succinate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02327  Doxylamine succinate (USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D02327
BRITE hierarchy
Other DBs
CAS: 562-10-7
PubChem: 7849386
ChEBI: 82461
ChEMBL: CHEMBL1200392
DrugBank: DB00366
LigandBox: D02327
NIKKAJI: J252.849E
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1d C    25.8213  -16.7820
            2   C8y C    24.6064  -17.4889
            3   C8y C    27.0422  -17.4712
            4   O2a O    25.8154  -15.3742
            5   C8x C    24.6121  -18.8965
            6   C8x C    23.3622  -16.8287
            7   N5x N    28.2804  -16.8052
            8   C8x C    27.0422  -18.8791
            9   C1b C    26.9662  -14.6557
            10  C8x C    23.4790  -19.6384
            11  C8x C    22.1822  -17.5822
            12  C8x C    29.4778  -17.5472
            13  C8x C    28.2395  -19.6149
            14  C8x C    22.1880  -18.9841
            15  C8x C    29.4778  -18.9550
            16  C1a C    24.6088  -16.0820
            17  C1b C    28.1716  -15.3139
            18  N1c N    29.3368  -14.6036
            19  C1a C    30.5712  -15.2775
            20  C1a C    29.3039  -13.2302
            21  C1b C    35.6030  -17.1183
            22  C1b C    36.8122  -16.4173
            23  C6a C    34.3941  -16.4234
            24  C6a C    38.0331  -17.1126
            25  O6a O    33.1790  -17.1242
            26  O6a O    34.3825  -15.0214
            27  O6a O    39.2423  -16.4116
            28  O6a O    38.0213  -18.5146
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 2
            13   10  14 2
            14   12  15 2
            15   11  14 1
            16   13  15 1
            17    1  16 1
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 1
            22   21  22 1
            23   21  23 1
            24   22  24 1
            25   23  25 1
            26   23  26 2
            27   24  27 1
            28   24  28 2

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