KEGG   DRUG: EtamiphyllineHelp
Entry
D07378                      Drug                                   

Name
Etamiphylline (INN)
Formula
C13H21N5O2
Exact mass
279.1695
Mol weight
279.3381
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
ATC code: R03DA06
Chemical structure group: DG01063
Efficacy
Bronchodilator
Comment
Xanthine derivative
Interaction
Drug 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
     R03DA06 Etamiphylline
      D07378  Etamiphylline (INN)
BRITE hierarchy
Other DBs
CAS: 314-35-2
PubChem: 51091714
ChEMBL: CHEMBL2104264
LigandBox: D07378
NIKKAJI: J5.503D
LinkDB All DBs
KCF data Show

ATOM        20
            1   N4y N    30.5900  -17.9200
            2   C8y C    30.5900  -19.3900
            3   N4y N    29.3300  -20.0900
            4   C8y C    28.1400  -19.3900
            5   C8y C    28.1400  -17.9200
            6   C8y C    29.3300  -17.2200
            7   N5x N    26.8100  -19.8100
            8   C8x C    25.9700  -18.6200
            9   N4y N    26.8100  -17.5000
            10  O5x O    29.3300  -15.8200
            11  O5x O    31.7800  -20.0900
            12  C1a C    31.7800  -17.2200
            13  C1a C    29.3300  -21.4900
            14  C1b C    26.8100  -16.1000
            15  C1b C    25.5500  -15.4000
            16  N1c N    24.3600  -16.1000
            17  C1b C    23.1700  -15.4000
            18  C1b C    24.3600  -17.5000
            19  C1a C    23.1700  -18.2000
            20  C1a C    21.9800  -16.1000
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 2
            12    2  11 2
            13    1  12 1
            14    3  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1
            20   18  19 1
            21   17  20 1

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