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>
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

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

Download RDF
DBGET integrated database retrieval system