KEGG   COMPOUND: C07141Help
Entry
C07141                      Compound                               

Name
Timolol
Formula
C13H24N4O3S
Exact mass
316.1569
Mol weight
316.4197
Structure
Mol fileKCF fileDB search
Remark
Same as: D08600
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA06 Timolol
      D08600  Timolol (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01ED Beta blocking agents
     S01ED01 Timolol
      D08600  Timolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D08600  Timolol (INN)
    ADRB2
     D08600  Timolol (INN)
BRITE hierarchy
Other DBs
CAS: 26839-75-8
PubChem: 9350
ChEBI: 9599
ChEMBL: CHEMBL499
PDB-CCD: TIM[PDBj]
NIKKAJI: J10.426D
KCF data Show

ATOM        21
            1   C8y C     7.1400   -9.9400
            2   C8y C     8.5400   -9.9400
            3   N5x N     8.9726   -8.6085
            4   S2x S     7.8400   -7.7856
            5   N5x N     6.7074   -8.6085
            6   N1y N     6.3171  -11.0726
            7   O2a O     9.3629  -11.0726
            8   C1b C    10.7734  -11.0645
            9   C1c C    11.4801  -12.2724
            10  C1x C     4.9171  -11.0726
            11  C1x C     4.2171  -12.2851
            12  O2x O     4.9171  -13.4975
            13  C1x C     6.3171  -13.4975
            14  C1x C     7.0171  -12.2851
            15  C1b C    12.8799  -12.2643
            16  N1b N    13.5807  -13.4620
            17  C1d C    14.9799  -13.4539
            18  O1a O    10.7966  -13.4719
            19  C1a C    16.3799  -13.4539
            20  C1a C    14.9758  -12.0400
            21  C1a C    14.9840  -14.8400
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    6  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    6  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19    9  18 1 #Down
            20   17  19 1
            21   17  20 1
            22   17  21 1

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