KEGG   DRUG: Bentiromide
Entry
D01346                      Drug                                   
Name
Bentiromide (JAN/USAN/INN);
PFD (TN)
Formula
C23H20N2O5
Exact mass
404.1372
Mol weight
404.4153
Structure
Remark
Therapeutic category: 7229
ATC code: V04CK03
Product: D01346<JP>
Efficacy
Diagnostic aid (pancreas function determination)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CK Tests for pancreatic function
     V04CK03 Bentiromide
      D01346  Bentiromide (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7229  Others
     D01346  Bentiromide (JAN/USAN/INN)
Other DBs
CAS: 37106-97-1
PubChem: 7848409
ChEBI: 31263
LigandBox: D01346
NIKKAJI: J3.184D
KCF data

ATOM        30
            1   C8y C    15.1304  -16.9897
            2   C8x C    15.1304  -18.3902
            3   C8x C    16.3461  -19.0904
            4   C8y C    17.5547  -18.3902
            5   C8x C    17.5547  -16.9897
            6   C8x C    16.3461  -16.2895
            7   O1a O    13.9180  -16.2889
            8   C1b C    18.7680  -19.0895
            9   C1c C    19.9804  -18.3883
            10  C5a C    21.1937  -19.0876
            11  N1b N    22.4059  -18.3866
            12  O5a O    21.1947  -20.4881
            13  C8y C    23.6192  -19.0858
            14  C8x C    23.6187  -20.4835
            15  C8x C    24.8319  -21.1828
            16  C8y C    26.0442  -20.4816
            17  C8x C    26.0432  -19.0812
            18  C8x C    24.8299  -18.3820
            19  C6a C    27.2576  -21.1810
            20  O6a O    27.2586  -22.5814
            21  O6a O    28.4697  -20.4799
            22  N1b N    19.9793  -16.9879
            23  C5a C    21.1915  -16.2868
            24  C8y C    21.1905  -14.8864
            25  O5a O    22.4048  -16.9862
            26  C8x C    22.4018  -14.1932
            27  C8x C    22.4008  -12.7928
            28  C8x C    21.1874  -12.0936
            29  C8x C    19.9753  -12.7946
            30  C8x C    19.9763  -14.1950
BOND        32
            1     4   8 1
            2     2   3 1
            3    13  14 2
            4    14  15 1
            5    15  16 2
            6    16  17 1
            7    17  18 2
            8    18  13 1
            9     8   9 1
            10   16  19 1
            11    3   4 2
            12   19  20 2
            13    9  10 1
            14   19  21 1
            15    4   5 1
            16    9  22 1
            17   10  11 1
            18   22  23 1
            19    5   6 2
            20   23  24 1
            21   10  12 2
            22   23  25 2
            23    6   1 1
            24   11  13 1
            25    1   7 1
            26    1   2 2
            27   24  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  24 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (6)   

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