KEGG   DRUG: Ambuphylline
Entry
D02884                      Drug                                   
Name
Ambuphylline (USAN);
Bufylline (BAN);
Butaphyllamine (TN)
Formula
C7H8N4O2. C4H11NO
Exact mass
269.1488
Mol weight
269.3003
Structure
Simcomp
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
ATC code: R03DA10
Efficacy
Diuretic, Smooth muscle relaxant
Comment
Xanthine derivative
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DA Xanthines
     R03DA10 Bufylline
      D02884  Ambuphylline (USAN)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    D02884  Ambuphylline
Other DBs
CAS: 5634-34-4
PubChem: 17397041
LigandBox: D02884
NIKKAJI: J349.750J
KCF data

ATOM        19
            1   C8y C    21.0777  -16.5971
            2   C8y C    21.0777  -17.9982
            3   N4y N    22.2687  -18.6988
            4   C8y C    23.4597  -17.9982
            5   N4y N    23.4597  -16.5971
            6   C8y C    22.2687  -15.8965
            7   N4x N    19.7466  -16.1767
            8   C8x C    18.9059  -17.2977
            9   N5x N    19.7466  -18.4186
            10  O5x O    22.2687  -14.4953
            11  O5x O    24.7207  -18.6988
            12  C1a C    24.7207  -15.8965
            13  C1a C    22.2687  -20.1000
            14  C1a C    28.5039  -18.2084
            15  C1d C    29.6949  -17.5078
            16  C1b C    30.8859  -18.2084
            17  O1a O    32.1469  -17.5078
            18  N1a N    29.6949  -16.1067
            19  C1a C    29.6949  -18.9078
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    6  10 2
            12    4  11 2
            13    5  12 1
            14    3  13 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   15  18 1
            19   15  19 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (6)   

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