KEGG   COMPOUND: C07319Help
Entry
C07319                      Compound                               

Name
Sumatriptan
Formula
C14H21N3O2S
Exact mass
295.1354
Mol weight
295.4004
Structure
Mol fileKCF fileDB search
Remark
Same as: D00451
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CC Selective serotonin (5HT1) agonists
     N02CC01 Sumatriptan
      D00451  Sumatriptan (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antimigraine Agents
  Serotonin (5-HT) 1b/1d Receptor Agonists
   Sumatriptan
    D00451  Sumatriptan (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   216  Vasoconstrictors
    2160  Vasoconstrictors
     D00451  Sumatriptan (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D00451  Sumatriptan (JAN/USP/INN) <JP/US>
    HTR1D
     D00451  Sumatriptan (JAN/USP/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Anesthetics, analgesics and anti-inflammatory drugs
  D00451
BRITE hierarchy
Other DBs
CAS: 103628-46-2
PubChem: 9527
ChEBI: 10650
ChEMBL: CHEMBL128
NIKKAJI: J128.634J
KCF data Show

ATOM        20
            1   C8y C    27.5550  -17.9600
            2   C8y C    27.5609  -19.3636
            3   C8y C    28.8886  -17.5290
            4   C8x C    26.3496  -17.2496
            5   N4x N    28.8944  -19.7886
            6   C8x C    26.3438  -20.0565
            7   C8x C    29.7097  -18.6531
            8   C1b C    29.2031  -16.1606
            9   C8y C    25.1325  -17.9543
            10  C8x C    25.1384  -19.3576
            11  C1b C    30.5365  -15.7472
            12  C1b C    23.9154  -17.2612
            13  N1c N    30.8452  -14.3846
            14  S4a S    22.7101  -17.9659
            15  C1a C    32.1787  -13.9710
            16  C1a C    29.8203  -13.4353
            17  N1b N    21.5047  -17.2671
            18  O3c O    23.7001  -18.9675
            19  O3c O    21.7142  -18.9675
            20  C1a C    20.2933  -17.9717
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   14  19 2
            19   17  20 1
            20    5   7 1
            21    9  10 2

» Japanese version

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Drug (2)   
   KEGG DRUG (1)   
   CHEMBL (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (7)   

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