KEGG   DRUG: Sodium phenylbutyrate
Entry
D05868                      Drug                                   
Name
Sodium phenylbutyrate (JAN/USP);
Buphenyl (TN)
Product
  Generic
Formula
C10H11O2. Na
Exact mass
186.0657
Mol weight
186.1829
Structure
Simcomp
Remark
Therapeutic category: 3999
ATC code: A16AX03
Product: D05868<JP/US>
Product (mixture): D12439<US>
Efficacy
Antihyperammonemic
  Disease
Deficiency of carbamylphosphate synthetase [DS:H00164]
Deficiency of ornithine transcarbamylase [DS:H00187]
Deficiency of argininosuccinic acid synthetase [DS:H00185]
Urea cycle disorders [DS:H01398]
Comment
Active form of prodrug: Phenylacetate [CPD:C07086]
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
     A16AX03 Sodium phenylbutyrate
      D05868  Sodium phenylbutyrate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Sodium Phenylbutyrate
   D05868  Sodium phenylbutyrate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D05868  Sodium phenylbutyrate (JAN/USP)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05868
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05868
Pharmacogenomic biomarkers [br08341.html]
 Germline mutations in genetic disorder treatments
  D05868
Prodrugs [br08324.html]
 D05868
Other DBs
CAS: 1716-12-7
PubChem: 47207529
ChEBI: 75316
LigandBox: D05868
NIKKAJI: J783.828J
KCF data

ATOM        13
            1   Z   Na   13.8833  -28.3419 #+
            2   C8x C     8.1900  -28.3500
            3   C8x C     8.1900  -29.7500
            4   C8x C     9.4024  -30.4500
            5   C8x C    10.6149  -29.7500
            6   C8x C    10.6149  -28.3500
            7   C8y C     9.4024  -27.6500
            8   C1b C     9.4024  -26.2502
            9   C1b C    10.5980  -25.5598
            10  C1b C    11.7852  -26.2452
            11  C6a C    12.9766  -25.5572
            12  O6a O    14.1659  -26.2439 #-
            13  O6a O    12.9767  -24.1503
BOND        12
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2

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