KEGG   COMPOUND: C11685Help
Entry
C11685                      Compound                               

Name
Clorgyline
Formula
C13H15Cl2NO
Exact mass
271.0531
Mol weight
272.1703
Structure
Mol fileKCF fileDB search
Remark
Same as: D03248
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAOA
     D03248  Clorgiline (INN)
BRITE hierarchy
Other DBs
CAS: 17780-72-2
PubChem: 13850
ChEBI: 3763
ChEMBL: CHEMBL8706
PDB-CCD: MLG[PDBj]
NIKKAJI: J10.191E
KCF data Show

ATOM        17
            1   C1b C    26.8602  -14.4397
            2   C1b C    25.6551  -13.7276
            3   C8y C    22.0290  -14.4172
            4   O2a O    23.2370  -13.7229
            5   C8x C    22.0290  -15.8235
            6   C8y C    20.8153  -13.7170
            7   C8x C    20.8153  -16.5238
            8   C8x C    19.5956  -14.4172
            9   C8y C    19.5956  -15.8235
            10  C1b C    24.4446  -14.4233
            11  X   Cl   20.8166  -12.3208
            12  X   Cl   18.3873  -16.5231
            13  N1c N    28.0997  -13.7327
            14  C1b C    29.2808  -14.4228
            15  C1a C    28.0373  -12.3205
            16  C3b C    30.4823  -13.7373
            17  C3a C    31.6947  -13.0373
BOND        17
            1     3   4 1
            2     3   5 1
            3     3   6 2
            4     5   7 2
            5     6   8 1
            6     7   9 1
            7     8   9 2
            8     2   1 1
            9     4  10 1
            10   10   2 1
            11    6  11 1
            12    9  12 1
            13    1  13 1
            14   13  14 1
            15   13  15 1
            16   14  16 1
            17   16  17 3

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