KEGG   COMPOUND: C18365
Entry
C18365                      Compound                               
Name
Carbetocin
Formula
C45H69N11O12S
Exact mass
987.4848
Mol weight
988.1609
Structure
Remark
Same as: D07229
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
    H01BB Oxytocin and analogues
     H01BB03 Carbetocin
      D07229  Carbetocin (USAN/INN/BAN)
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9417  Synthetic oestrogenic substionces and preparations
    C18365  Carbetocin
  942  Oxytocics
   9422  Posterior pituitary hormone and preparations
    C18365  Carbetocin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Oxytocin
    OXTR
     D07229  Carbetocin (USAN/INN/BAN)
Other DBs
CAS: 37025-55-1
PubChem: 124489039
ChEBI: 59204
LinkDB
KCF data

ATOM        69
            1   C8x C    17.5700  -14.3500
            2   C8y C    17.5700  -15.7500
            3   C8x C    18.7600  -16.4500
            4   C8x C    20.0200  -15.7500
            5   C8y C    20.0200  -14.3500
            6   C8x C    18.7600  -13.6500
            7   O2a O    16.3800  -16.4500
            8   C1b C    21.2100  -13.6500
            9   C1y C    22.9600  -14.3500
            10  C5x C    24.1500  -13.6500
            11  N1x N    22.9600  -15.7500
            12  N1x N    25.3400  -14.3500
            13  O5x O    24.1500  -12.2500
            14  C5x C    21.7700  -16.4500
            15  C1x C    21.7700  -17.8500
            16  O5x O    20.5800  -15.7500
            17  C1x C    22.9600  -18.5500
            18  C1x C    22.9600  -19.9500
            19  S2x S    24.1500  -20.6500
            20  C1x C    25.3400  -19.9500
            21  C1y C    26.5300  -20.6500
            22  N1x N    27.7200  -19.9500
            23  C5a C    26.5300  -22.0500
            24  O5a O    25.3400  -22.7500
            25  N1y N    27.7200  -22.7500
            26  C1y C    27.7200  -24.1500
            27  C1x C    29.0500  -24.5700
            28  C1x C    29.8900  -23.4500
            29  C1x C    29.0500  -22.3300
            30  C5a C    26.6000  -24.9900
            31  N1b N    25.3400  -24.4300
            32  O5a O    26.6000  -26.3900
            33  C5a C    22.9600  -24.4300
            34  C1c C    24.1500  -25.1300
            35  N1b N    21.7700  -25.1300
            36  O5a O    22.9600  -23.0300
            37  C1b C    20.5800  -24.4300
            38  C5a C    19.3900  -25.1300
            39  N1a N    18.2000  -24.4300
            40  O5a O    19.3900  -26.5300
            41  C5x C    27.7200  -18.5500
            42  O5x O    26.5300  -17.8500
            43  C1y C    28.9100  -17.8500
            44  N1x N    28.9100  -16.4500
            45  C5x C    30.1000  -15.7500
            46  O5x O    31.3600  -16.4500
            47  C1y C    30.1000  -14.3500
            48  N1x N    28.9100  -13.6500
            49  C5x C    27.7200  -14.3500
            50  C1y C    26.5300  -13.6500
            51  O5x O    27.7200  -15.7500
            52  C1c C    26.5300  -12.2500
            53  C1b C    27.7200  -11.5500
            54  C1a C    28.9100  -12.2500
            55  C1a C    25.3400  -11.5500
            56  C1b C    31.2900  -13.6500
            57  C1b C    32.5500  -14.3500
            58  C5a C    33.7400  -13.5800
            59  N1a N    34.9300  -14.2800
            60  O5a O    33.7400  -12.1800
            61  C1b C    24.1500  -26.5300
            62  C1c C    22.9600  -27.2300
            63  C1a C    21.7700  -26.5300
            64  C1a C    22.9600  -28.6300
            65  C1a C    15.1900  -15.7500
            66  C1b C    30.1700  -18.5500
            67  C5a C    30.1700  -19.9500
            68  N1a N    31.3600  -20.6500
            69  O5a O    28.9100  -20.6500
BOND        71
            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     2   7 1
            8     5   8 1
            9     9   8 1
            10    9  10 1
            11    9  11 1
            12   10  12 1
            13   10  13 2
            14   11  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 1
            24   23  24 2
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   25  29 1
            31   26  30 1
            32   30  31 1
            33   30  32 2
            34   33  34 1
            35   34  31 1
            36   33  35 1
            37   33  36 2
            38   35  37 1
            39   37  38 1
            40   38  39 1
            41   38  40 2
            42   22  41 1
            43   41  42 2
            44   41  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 2
            48   45  47 1
            49   47  48 1
            50   48  49 1
            51   50  49 1
            52   50  12 1
            53   49  51 2
            54   50  52 1
            55   52  53 1
            56   53  54 1
            57   52  55 1
            58   47  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   58  60 2
            63   34  61 1
            64   61  62 1
            65   62  63 1
            66   62  64 1
            67    7  65 1
            68   43  66 1
            69   66  67 1
            70   67  68 1
            71   67  69 2

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