KEGG   DRUG: Betahistine
Entry
D07522                      Drug                                   
Name
Betahistine (INN);
Vestibo (TN)
Formula
C8H12N2
Exact mass
136.1
Mol weight
136.1943
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01556  Histamine receptor H3 antagonist
Remark
ATC code: N07CA01
Chemical structure group: DG01004
Product (DG01004): D01592<JP>
Efficacy
Antivertigo, Vasodilator, Antihistaminic
Target
HRH1 [HSA:3269] [KO:K04149]
HRH3 [HSA:11255] [KO:K04151]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07C ANTIVERTIGO PREPARATIONS
    N07CA Antivertigo preparations
     N07CA01 Betahistine
      D07522  Betahistine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01556  Histamine receptor H3 antagonist
    DG01004  Betahistine
     D07522  Betahistine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07522  Betahistine (INN)
    HRH3
     D07522  Betahistine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01556  Histamine receptor H3 antagonist
    DG01004  Betahistine
Other DBs
CAS: 5638-76-6
PubChem: 51091845
ChEBI: 35677
LigandBox: D07522
NIKKAJI: J8.042J
KCF data

ATOM        10
            1   C8x C    27.7900  -18.6200
            2   C8x C    27.7900  -17.2200
            3   N5x N    26.5300  -16.5200
            4   C8y C    25.3400  -17.2200
            5   C8x C    25.3400  -18.6200
            6   C8x C    26.5300  -19.3200
            7   C1b C    24.1500  -16.5200
            8   C1b C    22.8900  -17.2200
            9   N1b N    21.7000  -16.5200
            10  C1a C    20.5100  -17.2200
BOND        10
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1

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