KEGG   COMPOUND: C07199Help
Entry
C07199                      Compound                               

Name
Methysergide
Formula
C21H27N3O2
Exact mass
353.2103
Mol weight
353.458
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CA Ergot alkaloids
     N02CA04 Methysergide
      D02357  Methysergide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor
     Methysergide
      D02357  Methysergide (USAN/INN)
    5-HT1B-receptor
     Methysergide
      D02357  Methysergide (USAN/INN)
    5-HT1D-receptor
     Methysergide
      D02357  Methysergide (USAN/INN)
    5-HT2A-receptor
     Methysergide
      D02357  Methysergide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
361-37-5
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    20.5900  -18.4751
            2   C8y C    20.5607  -17.1215
            3   C8y C    21.7278  -19.1637
            4   C8y C    19.3528  -19.1637
            5   C2y C    21.7510  -16.4446
            6   C8x C    19.3762  -16.4387
            7   C1x C    22.9240  -18.4985
            8   C8x C    21.7278  -20.5349
            9   N4y N    19.3528  -20.5349
            10  C8x C    18.1917  -18.4868
            11  C1y C    22.9240  -17.1332
            12  C2x C    21.7628  -15.0792
            13  C8x C    18.1917  -17.1215
            14  C1a C    18.3668  -21.5212
            15  N1y N    24.1843  -16.4620
            16  C1y C    22.9414  -14.4081
            17  C1x C    24.1260  -15.0965
            18  C1a C    25.2872  -17.1449
            19  C5a C    22.9355  -13.0309
            20  N1b N    24.1202  -12.3482
            21  O5a O    21.7510  -12.3482
            22  C1c C    25.2989  -13.0251
            23  C1b C    26.4834  -12.3425
            24  C1b C    25.2932  -14.3906
            25  C1a C    27.6680  -13.0194
            26  O1a O    26.4777  -15.0792
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1 #Up
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22   22  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   24  26 1
            26    7  11 1
            27    8   9 1
            28   10  13 2
            29   16  17 1

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