KEGG   COMPOUND: C07943Help
Entry
C07943                      Compound                               

Name
Entacapone
Formula
C14H15N3O5
Exact mass
305.1012
Mol weight
305.286
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BX Other dopaminergic agents
     N04BX02 Entacapone
      D00781  Entacapone (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Antiparkinson Agents, Other
   Entacapone
    D00781  Entacapone (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D00781  Entacapone (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   catechol O-methyltransferase (COMT)
    Entacapone
     D00781  Entacapone (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2C9
   Entacapone
    D00781  Entacapone (JAN/USAN/INN)
Neurological agents [br08367.html]
 Antiparkinson agents
  D00781
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D00781
BRITE hierarchy
Other DBs
CAS: 
130929-57-6
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    31.3722  -14.6764
            2   C8x C    32.5747  -13.9819
            3   C2b C    30.1583  -13.9819
            4   C8x C    31.3665  -16.0831
            5   C8y C    33.7944  -14.6764
            6   C2c C    28.9441  -14.6706
            7   C8y C    32.5747  -16.7893
            8   C8y C    33.7944  -16.0831
            9   N2b N    35.0085  -13.9819 #+
            10  C5a C    27.7359  -13.9759
            11  C3b C    28.9441  -16.0655
            12  O1a O    32.5221  -18.1901
            13  O1a O    35.0143  -16.7835
            14  O3a O    35.0143  -12.5751
            15  O3a O    36.2225  -14.6706 #-
            16  N1c N    26.5220  -14.6647
            17  O5a O    27.7418  -12.5694
            18  N3a N    27.7302  -16.7659
            19  C1b C    25.3138  -13.9643
            20  C1b C    26.5220  -16.0598
            21  C1a C    24.0998  -14.6589
            22  C1a C    25.3138  -16.7659
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   11  18 3
            18   16  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22    7   8 1

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