KEGG   DRUG: CiraparantagHelp
Entry
D10868                      Drug                                   

Name
Ciraparantag (USAN)
Formula
C22H48N12O2
Exact mass
512.4023
Mol weight
512.6957
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01988
Efficacy
Anticoagulant reversal
Comment
Anticoagulant (Dabigatran [DR:D07082] [DG:DG00164], Rivaroxaban [DR:D07086], Apixaban [DR:D03213], Edoxaban [DR:D09710] [DG:DG01398], low molecular weight heparin [DG:DG00150]) reversal
Other DBs
CAS: 1438492-26-2
PubChem: 319902668
ChEMBL: CHEMBL3544919
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1x C    16.0300  -16.6600
            2   N1y N    16.0300  -18.0600
            3   C1x C    17.2424  -18.7600
            4   C1x C    18.4549  -18.0600
            5   N1y N    18.4549  -16.6600
            6   C1x C    17.2424  -15.9600
            7   C1b C    14.8176  -18.7600
            8   C1b C    13.6221  -18.0696
            9   C1b C    12.4347  -18.7551
            10  N1b N    11.2435  -18.0671
            11  C5a C    10.0540  -18.7538
            12  C1c C     8.8639  -18.0665
            13  C1b C     7.6738  -18.7535
            14  C1b C     6.4840  -18.0663
            15  C1b C     5.2938  -18.7534
            16  N1b N     4.1040  -18.0662
            17  C2c C     2.9138  -18.7534
            18  N1a N     1.7240  -18.0662
            19  N2a N     2.9135  -20.1597
            20  O5a O    10.0538  -20.1598
            21  N1a N     8.8639  -16.6602
            22  C1b C    19.6860  -15.9490
            23  C1b C    20.8912  -16.6447
            24  C1b C    22.0735  -15.9619
            25  N1b N    23.2675  -16.6512
            26  C5a C    24.4554  -15.9652
            27  C1c C    25.6465  -16.6529
            28  O5a O    24.4555  -14.5602
            29  C1b C    26.8359  -15.9661
            30  C1b C    28.0262  -16.6534
            31  C1b C    29.2161  -15.9663
            32  N1b N    30.4062  -16.6535
            33  C2c C    31.5961  -15.9664
            34  N1a N    32.7862  -16.6535
            35  N1a N    25.6467  -18.0597
            36  N2a N    31.5962  -14.5602
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   17  19 2
            20   11  20 2
            21   12  21 1 #Down
            22    5  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   26  28 2
            29   27  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   27  35 1 #Down
            36   33  36 2

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