KEGG   DRUG: Sapropterin
Entry
D08505                      Drug                                   

Name
Sapropterin (INN)
Formula
C9H15N5O3
Exact mass
241.1175
Mol weight
241.2471
Structure
Simcomp
Remark
ATC code: A16AX07
Chemical structure group: DG00147
Product (DG00147): D01798<JP/US>
Efficacy
Antihyperphenylalaninemia
Comment
synthetic 6R-isomer of Tetrahydrobiopterin [CPD:C00272]
Drug for metabolic disease treatment
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX07 Sapropterin
      D08505  Sapropterin (INN)
Other DBs
CAS: 62989-33-7
PubChem: 96025190
ChEBI: 59560
ChEMBL: CHEMBL1201774
DrugBank: DB00360
PDB-CCD: H4B[PDBj]
LigandBox: D08505
NIKKAJI: J463.663E
LinkDB
KCF data

ATOM        17
            1   N5x N    20.5100  -17.9200
            2   C8y C    20.5100  -19.3200
            3   N4x N    21.7700  -20.0200
            4   C8y C    21.7700  -17.2200
            5   C8y C    22.9600  -17.9200
            6   C8y C    22.9600  -19.3200
            7   N1x N    24.1500  -20.0200
            8   C1x C    25.4100  -19.3200
            9   C1y C    25.4100  -17.9200
            10  N1x N    24.1500  -17.2200
            11  C1c C    26.6000  -17.2200
            12  C1c C    27.7900  -17.9200
            13  C1a C    29.0500  -17.2200
            14  O1a O    27.7900  -19.3200
            15  O1a O    26.6000  -15.8200
            16  N1a N    19.3200  -20.0200
            17  O5x O    21.7700  -15.8200
BOND        18
            1     8   9 1
            2     9  10 1
            3    10   5 1
            4     4   1 1
            5     9  11 1
            6    11  12 1
            7    12  13 1
            8     1   2 2
            9    12  14 1 #Down
            10    2   3 1
            11   11  15 1 #Up
            12    3   6 1
            13    2  16 1
            14    5   4 1
            15    4  17 2
            16    5   6 2
            17    6   7 1
            18    7   8 1

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