KEGG   COMPOUND: C06969Help
Entry
C06969                      Compound                               

Name
Dorzolamide
Formula
C10H16N2O4S3
Exact mass
324.0272
Mol weight
324.44
Structure
Mol fileKCF fileDB search
Remark
Same as: D07871
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EC Carbonic anhydrase inhibitors
     S01EC03 Dorzolamide
      D07871  Dorzolamide (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Aldehyde-lyases
    CA
     D07871  Dorzolamide (INN)
BRITE hierarchy
Other DBs
CAS: 120279-96-1
PubChem: 9183
ChEBI: 4702
ChEMBL: CHEMBL218490
PDB-CCD: ETS[PDBj]
NIKKAJI: J488.895B
KCF data Show

ATOM        19
            1   C8y C    21.7000  -14.7700
            2   C8y C    21.7000  -16.1700
            3   S2x S    22.8900  -14.1400
            4   S2x S    20.3700  -14.3500
            5   C1y C    22.8900  -16.8700
            6   C8x C    20.3700  -16.5900
            7   C1y C    24.0800  -14.7700
            8   O3c O    21.6300  -13.2300
            9   O3c O    24.0100  -13.3000
            10  C8y C    19.6000  -15.4700
            11  C1x C    24.0800  -16.1700
            12  N1b N    22.8900  -18.2700
            13  C1a C    25.2700  -14.1400
            14  S4a S    18.2000  -15.4700
            15  C1b C    24.0800  -18.9000
            16  N1a N    18.2000  -17.0800
            17  O3c O    18.2000  -14.1400
            18  O3c O    16.7300  -15.4700
            19  C1a C    24.0800  -20.3000
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    7  13 1 #Up
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   14  18 2
            18    6  10 2
            19    7  11 1
            20   15  19 1

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