KEGG   DRUG: Metyrapone tartrate
Entry
D05019                      Drug                                   

Name
Metyrapone tartrate (USAN);
Metopirone ditartrate (TN)
Formula
C14H14N2O. (C4H6O6)2
Exact mass
526.1435
Mol weight
526.4474
Structure
Remark
ATC code: V04CD01
Chemical structure group: DG01166
Product (DG01166): D00410<JP/US>
Efficacy
Diagnostic aid (pituitary function determination)
Comment
corticosteroid synthesis inhibitor
Target
CYP11B1 [HSA:1584] [KO:K00497]
  Pathway
hsa00140  Steroid hormone biosynthesis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CD Tests for pituitary function
     V04CD01 Metyrapone
      D05019  Metyrapone tartrate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP11B1
     D05019  Metyrapone tartrate (USAN)
Other DBs
CAS: 908-35-0
PubChem: 47206746
DrugBank: DB01011
LigandBox: D05019
LinkDB
KCF data

ATOM        37
            1   C8x C    34.3843  -23.9561
            2   N5x N    34.3843  -25.3573
            3   C8x C    35.5978  -26.0579
            4   C8y C    36.8113  -25.3573
            5   C8x C    36.8113  -23.9561
            6   C8x C    35.5978  -23.2554
            7   C5a C    38.0435  -26.0690
            8   C1d C    39.2498  -25.3726
            9   C8y C    40.4332  -26.0560
            10  O5a O    38.0432  -27.4591
            11  C8x C    40.4331  -27.4590
            12  C8x C    41.6464  -28.1597
            13  C8x C    42.8600  -27.4592
            14  N5x N    42.8601  -26.0562
            15  C8x C    41.6466  -25.3555
            16  C1a C    40.2401  -24.3823
            17  C1a C    38.2596  -24.3823
            18  C1c C    49.5390  -26.3788
            19  C1c C    50.7274  -25.6798
            20  C6a C    48.2806  -25.6798
            21  O1a O    49.5390  -27.7771
            22  C6a C    51.9159  -26.3788
            23  O1a O    50.7274  -24.2815
            24  O6a O    47.0921  -26.3788
            25  O6a O    48.2806  -24.2815
            26  O6a O    53.1744  -25.6798
            27  O6a O    51.9159  -27.7771
            28  C1c C    49.5390  -26.3788
            29  C1c C    50.7274  -25.6798
            30  C6a C    51.9159  -26.3788
            31  O6a O    53.1744  -25.6798
            32  O6a O    51.9159  -27.7771
            33  O1a O    50.7274  -24.2815
            34  C6a C    48.2806  -25.6798
            35  O6a O    47.0921  -26.3788
            36  O6a O    48.2806  -24.2815
            37  O1a O    49.5390  -27.7771
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17    8  16 1
            18    8  17 1
            19   18  19 1
            20   18  20 1
            21   18  21 1 #Up
            22   19  22 1
            23   19  23 1 #Up
            24   20  24 1
            25   20  25 2
            26   22  26 1
            27   22  27 2
            28   28  29 1
            29   28  34 1
            30   28  37 1 #Up
            31   29  30 1
            32   29  33 1 #Up
            33   34  35 1
            34   34  36 2
            35   30  31 1
            36   30  32 2
BRACKET     1    45.2200  -28.7000   45.2200  -23.0300
            1    55.1600  -23.0300   55.1600  -28.7000
            1  2
 ORIGINAL  1   18  19  22  26  27  23  20  24  25  21
 REPEAT    1   28  29  30  31  32  33  34  35  36  37

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