KEGG   DRUG: Cloprostenol sodium
Entry
D02727                      Drug                                   
Name
Cloprostenol sodium (USP);
Estrumate (TN)
Formula
C22H28ClO6. Na
Exact mass
446.1472
Mol weight
446.8969
Structure
Simcomp
Remark
Chemical structure group: DG02874
Efficacy
Oxytocic (veterinary)
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9419  Other hormone preparations
    D02727  Cloprostenol sodium
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D02727  Cloprostenol sodium (USP)
Other DBs
CAS: 55028-72-3
PubChem: 17396894
ChEBI: 177470
LigandBox: D02727
NIKKAJI: J327.788G
LinkDB
KCF data

ATOM        30
            1   C1y C    21.0961  -17.5170
            2   C1y C    21.0961  -16.1154
            3   C1y C    19.7631  -15.6823
            4   C1x C    18.9393  -16.8162
            5   C1y C    19.7631  -17.9501
            6   O1a O    19.3338  -19.2711
            7   O1a O    19.3338  -14.3612
            8   C1b C    22.3099  -15.4146
            9   C2b C    23.5237  -16.1154
            10  C2b C    24.9253  -16.1154
            11  C1b C    26.1642  -15.4146
            12  C1b C    27.3780  -16.1154
            13  C1b C    28.5918  -15.4146
            14  C6a C    29.8056  -16.1154
            15  O6a O    31.0194  -15.4146 #-
            16  C2b C    22.3099  -18.2178
            17  C2b C    23.5237  -17.5170
            18  C1c C    24.7375  -18.2178
            19  C1b C    25.9512  -17.5170
            20  O2a O    27.1651  -18.2178
            21  O1a O    24.7375  -19.6193
            22  C8y C    27.1651  -19.6193
            23  C8x C    25.9724  -20.3082
            24  C8x C    25.9726  -21.7098
            25  C8x C    27.1865  -22.4104
            26  C8y C    28.3793  -21.7215
            27  C8x C    28.3790  -20.3199
            28  X   Cl   29.5970  -22.4243
            29  O6a O    29.8056  -17.5169
            30  Z   Na   33.6402  -15.4146 #+
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     3   7 1 #Up
            8     2   8 1 #Up
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    1  16 1 #Down
            17   16  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   18  21 1 #Up
            22   20  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   26  28 1
            30   14  29 2

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