KEGG   DRUG: Pegulicianine acetate
Entry
D12887                      Drug                                   
Name
Pegulicianine acetate (USAN);
Lumisight (TN)
Product
LUMISIGHT (Lumicell)
Formula
C118H151N19O24S4(C2H4O)n. C2H4O2
Structure
Remark
Product: D12887<US>
Efficacy
Diagnostic aid (fluorescent imaging)
Comment
A fluorescent Imaging agent for the visualization of cancer.
Brite
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12887
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12887
Other DBs
CAS: 2230217-18-0
PubChem: 497621300
LinkDB
KCF data

ATOM        172
            1   C8y C     7.2800  -14.4200
            2   C8x C     7.2800  -15.8200
            3   C8x C     8.4700  -16.5200
            4   C8y C     9.7300  -15.8200
            5   C8y C     9.7300  -14.4200
            6   C8x C     8.4700  -13.7200
            7   C8y C    10.9200  -16.5200
            8   C8y C    12.1100  -15.8200
            9   C8y C    12.1100  -14.4200
            10  O2x O    10.9200  -13.7200 #+
            11  C8x C    13.3700  -16.5200
            12  C8x C    14.5600  -15.8200
            13  C8y C    14.5600  -14.4200
            14  C8x C    13.3700  -13.7200
            15  C8y C    10.9200  -17.9200
            16  C8x C     9.7300  -18.6200
            17  C8x C     9.7300  -20.0200
            18  C8x C    10.9200  -20.7200
            19  C8x C    12.1100  -20.0200
            20  C8y C    12.1100  -18.6200
            21  N1y N     6.0900  -13.7200
            22  C1x C     5.9500  -12.3200
            23  C1x C     4.5500  -12.0400
            24  C8y C     3.8500  -13.2300
            25  C8y C     4.7600  -14.2800
            26  C8x C     2.5200  -13.5100
            27  C8x C     2.0300  -14.8400
            28  C8x C     3.0100  -15.8900
            29  C8x C     4.3400  -15.6100
            30  N1y N    15.7500  -13.7200
            31  C1x C    17.0100  -14.2800
            32  C1x C    17.9900  -13.2300
            33  C8y C    17.2900  -12.0400
            34  C8y C    15.8900  -12.3200
            35  C8x C    17.7100  -10.7100
            36  C8x C    16.7300   -9.6600
            37  C8x C    15.4000   -9.9400
            38  C8x C    14.9800  -11.2700
            39  S4a S    13.3000  -17.9200
            40  N1y N    14.4900  -18.6200
            41  C1x C    14.4900  -20.0200
            42  C1x C    15.7500  -20.7200
            43  C1y C    16.9400  -20.0200
            44  C1x C    16.9400  -18.6200
            45  C1x C    15.7500  -17.9200
            46  O1d O    12.1100  -17.2200
            47  O1d O    14.5600  -17.2200
            48  C5a C    18.1300  -20.7200
            49  N1b N    19.3200  -20.0200
            50  O5a O    18.1300  -22.1200
            51  C1b C    20.5100  -20.7200
            52  C1b C    21.7000  -20.0200
            53  C1b C    22.8900  -20.7200
            54  C1b C    24.0800  -20.0200
            55  C1b C    25.2700  -20.7200
            56  C5a C    26.4600  -20.0200
            57  N1b N    27.6500  -20.7200
            58  O5a O    26.4600  -18.6200
            59  C1b C    28.8400  -20.0200
            60  C5a C    30.0300  -20.7200
            61  N1b N    31.2200  -20.0200
            62  O5a O    30.0300  -22.1200
            63  C1b C    32.4100  -20.7200
            64  C5a C    33.6000  -20.0200
            65  N1b N    34.7900  -20.7200
            66  O5a O    33.6000  -18.6200
            67  C1c C    35.9800  -20.0200
            68  C5a C    37.1700  -20.7200
            69  C1b C    35.9800  -18.6200
            70  C1b C    34.7900  -17.9200
            71  C1b C    34.7900  -16.5200
            72  N1b N    33.6000  -15.8200
            73  C2c C    32.4100  -16.5200
            74  N1a N    31.2200  -15.8200
            75  N2a N    32.4100  -17.9200
            76  O5a O    38.3600  -20.0200
            77  N1b N    37.1700  -22.1200
            78  C1c C    38.3600  -22.8200
            79  C1b C    38.3600  -24.2200
            80  C5a C    39.5500  -22.1200
            81  N1b N    40.7400  -22.8200
            82  O5a O    39.5500  -20.7200
            83  C1b C    41.9300  -22.1200
            84  C1b C    37.1700  -24.9200
            85  C1b C    35.9800  -24.2200
            86  C1b C    34.7900  -24.9200
            87  N1b N    33.6000  -24.2200
            88  C5a C    32.4100  -24.9200
            89  O5a O    31.2200  -24.2200
            90  C1b C    32.4100  -26.3200
            91  C1b C    31.2200  -27.0200
            92  C1b C    30.0300  -26.3200
            93  C1b C    28.8400  -27.0200
            94  C1b C    27.6500  -26.3200
            95  N2y N    26.4600  -27.0200 #+
            96  C8y C    25.2000  -26.4600
            97  C8y C    24.2900  -27.5100
            98  C1z C    24.9200  -28.7000
            99  C2y C    26.3200  -28.3500
            100 C8x C    24.7800  -25.1300
            101 C8x C    23.3800  -24.8500
            102 C8y C    22.4700  -25.8300
            103 C8x C    22.8900  -27.1600
            104 S4a S    21.0700  -25.5500
            105 O1d O    19.7400  -25.2000 #-
            106 O1d O    21.4900  -24.2200
            107 O1d O    20.7200  -26.9500
            108 C1a C    23.7300  -29.4000
            109 C1a C    25.3400  -30.0300
            110 C2b C    27.3000  -29.3300
            111 C2b C    28.6300  -28.9100
            112 C2b C    29.6800  -29.8200
            113 C2b C    31.0100  -29.4000
            114 C2b C    32.0600  -30.3100
            115 C2y C    33.3900  -29.8900
            116 C1z C    34.5100  -30.7300
            117 C8y C    35.6300  -29.8900
            118 C8y C    35.2100  -28.5600
            119 N1y N    33.8100  -28.5600
            120 C1b C    32.9700  -27.4400
            121 C1a C    33.5300  -31.7100
            122 C1a C    35.4900  -31.7100
            123 C8x C    37.0300  -30.1700
            124 C8y C    37.9400  -29.1200
            125 C8x C    37.5200  -27.8600
            126 C8x C    36.1200  -27.5100
            127 S4a S    39.2700  -29.4700
            128 O1d O    40.6700  -29.8200 #-
            129 O1d O    38.9200  -30.8000
            130 O1d O    39.6900  -28.0700
            131 C1b C    43.1200  -22.8200
            132 O2a O    44.3100  -22.1200
            133 C1b C    45.5000  -22.8200
            134 C1b C    46.6900  -22.1200
            135 O2a O    47.8800  -22.8200
            136 C1b C    49.0700  -22.1200
            137 C5a C    50.2600  -22.8200
            138 N1b N    51.4500  -22.1200
            139 O5a O    50.2600  -24.2200
            140 C1c C    51.4500  -20.7200
            141 C5a C    52.6400  -20.0200
            142 C1b C    50.2600  -20.0200
            143 N1a N    53.8300  -20.7200
            144 O5a O    52.6400  -18.6200
            145 S2a S    49.0700  -20.7200
            146 C1y C    47.8800  -20.0200
            147 C5x C    47.7400  -18.6200
            148 N1y N    46.3400  -18.3400
            149 C5x C    45.6400  -19.5300
            150 C1x C    46.5500  -20.5800
            151 O5x O    48.7900  -17.6400
            152 O5x O    44.2400  -19.6700
            153 C1b C    45.7800  -17.0800
            154 C1b C    44.3800  -16.9400
            155 C1b C    43.8200  -15.6800
            156 C1b C    42.4200  -15.5400
            157 C1b C    41.8600  -14.2800
            158 C5a C    40.4600  -14.1400
            159 O5a O    39.6200  -15.2600
            160 N1b N    39.9000  -12.8800
            161 C1b C    38.5000  -12.7400
            162 C1b C    37.9400  -11.4800
            163 O2a O    36.5400  -11.3400
            164 C1b C    34.7900  -12.4600
            165 C1b C    33.5300  -11.8300
            166 O2a O    32.3400  -12.6000
            167 C1a C    30.2400  -11.4800
            168 C1a C    31.5700  -27.5800
            169 C6a C    23.5900  -11.6200
            170 O6a O    24.7800  -12.3200
            171 C1a C    22.4000  -12.3200
            172 O6a O    23.5900  -10.2200
BOND        184
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    7  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24    1  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   21  25 1
            30   24  26 2
            31   26  27 1
            32   27  28 2
            33   28  29 1
            34   25  29 2
            35   13  30 1
            36   30  31 1
            37   31  32 1
            38   32  33 1
            39   33  34 1
            40   30  34 1
            41   33  35 2
            42   35  36 1
            43   36  37 2
            44   37  38 1
            45   34  38 2
            46   20  39 1
            47   39  40 1
            48   40  41 1
            49   41  42 1
            50   42  43 1
            51   43  44 1
            52   44  45 1
            53   40  45 1
            54   39  46 2
            55   39  47 2
            56   43  48 1
            57   48  49 1
            58   48  50 2
            59   49  51 1
            60   51  52 1
            61   52  53 1
            62   53  54 1
            63   54  55 1
            64   55  56 1
            65   56  57 1
            66   56  58 2
            67   57  59 1
            68   59  60 1
            69   60  61 1
            70   60  62 2
            71   61  63 1
            72   63  64 1
            73   64  65 1
            74   64  66 2
            75   65  67 1
            76   67  68 1
            77   67  69 1
            78   69  70 1
            79   70  71 1
            80   71  72 1
            81   72  73 1
            82   73  74 1
            83   73  75 2
            84   68  76 2
            85   68  77 1
            86   77  78 1
            87   78  79 1
            88   78  80 1
            89   80  81 1
            90   80  82 2
            91   81  83 1
            92   79  84 1
            93   84  85 1
            94   85  86 1
            95   86  87 1
            96   87  88 1
            97   88  89 2
            98   88  90 1
            99   90  91 1
            100  91  92 1
            101  92  93 1
            102  93  94 1
            103  94  95 1
            104  95  96 1
            105  96  97 1
            106  97  98 1
            107  98  99 1
            108  95  99 2
            109  96 100 2
            110 100 101 1
            111 101 102 2
            112 102 103 1
            113  97 103 2
            114 102 104 1
            115 104 105 1
            116 104 106 2
            117 104 107 2
            118  98 108 1
            119  98 109 1
            120  99 110 1
            121 110 111 2
            122 111 112 1
            123 112 113 2
            124 113 114 1
            125 114 115 2
            126 115 116 1
            127 116 117 1
            128 117 118 1
            129 118 119 1
            130 115 119 1
            131 119 120 1
            132 116 121 1
            133 116 122 1
            134 117 123 2
            135 123 124 1
            136 124 125 2
            137 125 126 1
            138 118 126 2
            139 124 127 1
            140 127 128 1
            141 127 129 2
            142 127 130 2
            143  83 131 1
            144 131 132 1
            145 132 133 1
            146 133 134 1
            147 134 135 1
            148 135 136 1
            149 136 137 1
            150 137 138 1
            151 137 139 2
            152 138 140 1
            153 140 141 1
            154 140 142 1
            155 141 143 1
            156 141 144 2
            157 142 145 1
            158 145 146 1
            159 146 147 1
            160 147 148 1
            161 148 149 1
            162 149 150 1
            163 146 150 1
            164 147 151 2
            165 149 152 2
            166 148 153 1
            167 153 154 1
            168 154 155 1
            169 155 156 1
            170 156 157 1
            171 157 158 1
            172 158 159 2
            173 158 160 1
            174 160 161 1
            175 161 162 1
            176 162 163 1
            177 163 164 1
            178 164 165 1
            179 165 166 1
            180 166 167 1
            181 120 168 1
            182 169 170 1
            183 169 171 1
            184 169 172 2
BRACKET     1    31.4300  -13.6500   31.4300  -11.1300
            1    35.4900  -11.1300   35.4900  -13.6500
            1  n
 ORIGINAL  1  164 165 166
 REPEAT    1

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