KEGG   DRUG: Desmopressin acetate
Entry
D02235                      Drug                                   
Name
Desmopressin acetate (USP);
Desmopressin acetate hydrate (JAN);
Desmopressin acetate trihydrate;
DDAVP (TN);
Minirinmelt (TN);
Stimate (TN)
Product
  Generic
Formula
C46H64N14O12S2. C2H4O2. 3H2O
Exact mass
1182.4798
Mol weight
1183.3148
Structure
Simcomp
Class
Cardiovascular agent
 DG01952  Vasopressin analog
Remark
Therapeutic category: 2419
ATC code: H01BA02
Chemical structure group: DG00497
Product (DG00497): D02235<JP/US>
Efficacy
Antidiuretic, Arginine vasopressin receptor agonist
  Disease
Hemophilia A [DS:H00219]
von Willebrand's disease type 1 [DS:H00219]
Central diabetes insipidus [DS:H00253]
Comment
Arg-vasopressin [DR:D02983] derivative
Treatment of nocturia
Target
AVPR2 [HSA:554] [KO:K04228]
F8 [HSA:2157] [KO:K03899]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
hsa04962  Vasopressin-regulated water reabsorption
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01B POSTERIOR PITUITARY LOBE HORMONES
    H01BA Vasopressin and analogues
     H01BA02 Desmopressin
      D02235  Desmopressin acetate (USP) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Blood Component Deficiency/ Replacement
   Desmopressin
    D02235  Desmopressin acetate (USP)
 Hormonal Agents, Stimulant/Replacement/Modifying (Pituitary)
  Desmopressin
   D02235  Desmopressin acetate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   241  Pituitary hormone preparations
    2419  Others
     D02235  Desmopressin acetate (USP); Desmopressin acetate hydrate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00497  Desmopressin
    D02235  Desmopressin acetate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    AVPR2
     D02235  Desmopressin acetate (USP) <JP/US>
 Not elsewhere classified
  Organismal systems
   Complement and coagulation
    F8
     D02235  Desmopressin acetate (USP) <JP/US>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00497  Desmopressin
Other DBs
CAS: 62357-86-2
PubChem: 7849294
ChEBI: 59728
LigandBox: D02235
LinkDB
KCF data

ATOM        81
            1   C1a C    32.3832  -21.0137
            2   C6a C    33.5970  -20.3133
            3   O6a O    34.8108  -21.0137
            4   O6a O    33.5970  -18.9128
            5   N1y N    18.8548  -17.5639
            6   C1y C    19.2754  -18.8259
            7   C5a C    18.8548  -16.2553
            8   C1x C    17.5461  -17.6107
            9   C5a C    20.4440  -19.4802
            10  C1x C    18.2472  -19.6205
            11  C1y C    20.0233  -15.6009
            12  O5a O    17.7331  -15.6009
            13  C1x C    17.1722  -18.8726
            14  N1b N    21.5657  -18.8259
            15  O5a O    20.4440  -20.7889
            16  N1x N    20.0233  -14.2923
            17  C1x C    21.1450  -16.2553
            18  C1c C    22.7342  -19.4802
            19  C5x C    21.1450  -13.5911
            20  S3x S    22.3135  -15.6009
            21  C5a C    22.7342  -20.7889
            22  C1b C    23.8559  -18.8259
            23  C1y C    21.1450  -12.2825
            24  O5x O    22.3135  -14.2923
            25  S3x S    23.4353  -16.2553
            26  N1b N    23.8559  -21.4434
            27  O5a O    21.5657  -21.4434
            28  C1b C    25.0244  -19.4802
            29  N1x N    20.0233  -11.6281
            30  C1b C    22.3135  -11.6281
            31  C1x C    24.5570  -15.6009
            32  C1b C    25.0244  -20.7889
            33  C1b C    26.1461  -18.8259
            34  C5x C    20.0233  -10.3194
            35  C5a C    23.4353  -12.2825
            36  C1x C    25.7255  -16.2553
            37  C1y C    22.0331   -9.5716
            38  O5x O    18.8548   -9.6650
            39  N1a N    24.5570  -11.6281
            40  O5a O    23.4353  -13.5911
            41  C5x C    26.8473  -15.6009
            42  N1x N    23.9027  -10.3194
            43  C1b C    22.0331   -7.8890
            44  N1x N    28.0157  -16.2553
            45  O5x O    26.8473  -14.2923
            46  C5x C    25.7722   -9.5716
            47  C1b C    20.9113   -7.1879
            48  C1y C    29.1375  -15.6009
            49  C1y C    28.0157  -10.3194
            50  O5x O    25.7722   -8.2628
            51  C5a C    19.7429   -7.8422
            52  C1b C    30.3059  -16.2553
            53  C5x C    29.1375  -14.2923
            54  C1b C    29.3244   -9.6650
            55  N1x N    28.0157  -13.3810
            56  N1a N    18.6211   -7.1412
            57  O5a O    19.7429   -9.1509
            58  C8y C    31.4276  -15.6009
            59  O5x O    30.3059  -13.5911
            60  C8y C    30.4929  -10.2726
            61  C8x C    32.5494  -16.2553
            62  C8x C    31.4276  -14.2455
            63  C8x C    30.4929  -11.5813
            64  C8x C    31.6613   -9.5716
            65  C8x C    33.7178  -15.6009
            66  C8x C    32.5494  -13.5911
            67  C8x C    31.6613  -12.2357
            68  C8x C    32.7831  -10.2726
            69  C8y C    33.7178  -14.2455
            70  C8x C    32.7831  -11.5813
            71  O1a O    34.8396  -13.5911
            72  C5a C    26.1929  -21.4901
            73  N1a N    27.4548  -20.7889
            74  O5a O    26.1929  -22.8922
            75  N1b N    27.3614  -19.5270
            76  C2c C    28.5765  -18.8259
            77  N1a N    29.7918  -19.5270
            78  N2a N    28.5765  -17.4237
            79  O0  O    34.2778  -22.8153
            80  O0  O    34.2778  -22.8153
            81  O0  O    34.2778  -22.8153
BOND        80
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     6   9 1
            8     6  10 1
            9     7  11 1
            10    7  12 2
            11    8  13 1
            12    9  14 1
            13    9  15 2
            14   11  16 1
            15   11  17 1
            16   14  18 1
            17   16  19 1
            18   17  20 1
            19   18  21 1
            20   18  22 1
            21   19  23 1
            22   19  24 2
            23   20  25 1
            24   21  26 1
            25   21  27 2
            26   22  28 1
            27   23  29 1
            28   23  30 1
            29   25  31 1
            30   26  32 1
            31   28  33 1
            32   29  34 1
            33   30  35 1
            34   31  36 1
            35   34  37 1
            36   34  38 2
            37   35  39 1
            38   35  40 2
            39   36  41 1
            40   37  42 1
            41   37  43 1
            42   41  44 1
            43   41  45 2
            44   42  46 1
            45   43  47 1
            46   44  48 1
            47   46  49 1
            48   46  50 2
            49   47  51 1
            50   48  52 1
            51   48  53 1
            52   49  54 1
            53   49  55 1
            54   51  56 1
            55   51  57 2
            56   52  58 1
            57   53  59 2
            58   54  60 1
            59   58  61 2
            60   58  62 1
            61   60  63 2
            62   60  64 1
            63   61  65 1
            64   62  66 2
            65   63  67 1
            66   64  68 2
            67   65  69 2
            68   67  70 2
            69   69  71 1
            70   10  13 1
            71   53  55 1
            72   66  69 1
            73   68  70 1
            74   32  72 1
            75   72  73 1
            76   72  74 2
            77   33  75 1
            78   75  76 1
            79   76  77 1
            80   76  78 2
BRACKET     1    32.2000  -23.5200   32.2000  -22.0500
            1    34.7900  -22.0500   34.7900  -23.5200
            1  3
 ORIGINAL  1   79
 REPEAT    1   80  81

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