KEGG   DRUG: LumefantrineHelp
Entry
D03821                      Drug                                   

Name
Lumefantrine (JAN/USAN/INN)
Formula
C30H32Cl3NO
Exact mass
527.1549
Mol weight
528.9402
Structure
Mol fileKCF fileDB search
Remark
Product (mixture): D02484<JP/US>
Efficacy
Antimalarial
Comment
Component of Coartem (TN)
Other DBs
CAS: 82186-77-4
PubChem: 47205892
ChEBI: 156095
ChEMBL: CHEMBL38827
LigandBox: D03821
NIKKAJI: J759.730D
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    19.2500  -24.9200
            2   C8y C    19.6700  -26.3200
            3   C8y C    21.0700  -26.3200
            4   C8y C    21.4900  -24.9900
            5   C2y C    20.3700  -24.1500
            6   C8x C    17.8500  -24.6400
            7   C8y C    16.9400  -25.6200
            8   C8x C    17.2900  -26.9500
            9   C8x C    18.6900  -27.3000
            10  C8y C    21.9100  -27.4400
            11  C8x C    23.3100  -27.1600
            12  C8y C    23.8000  -25.8300
            13  C8x C    22.8900  -24.7800
            14  C2b C    20.3700  -22.7500
            15  C8y C    21.5600  -22.0500
            16  C8x C    22.8200  -22.6800
            17  C8x C    24.0100  -21.9800
            18  C8y C    24.0100  -20.5800
            19  C8x C    22.7500  -19.8800
            20  C8x C    21.5600  -20.6500
            21  X   Cl   25.2000  -19.8800
            22  X   Cl   15.5820  -25.2797
            23  X   Cl   25.1772  -25.5786
            24  C1c C    21.4103  -28.7478
            25  O1a O    20.0341  -28.9681
            26  C1b C    22.3079  -29.8524
            27  N1c N    23.7167  -29.6274
            28  C1b C    24.5959  -30.7101
            29  C1b C    24.2241  -28.3001
            30  C1b C    25.6055  -28.0793
            31  C1b C    26.4892  -29.1675
            32  C1a C    27.8396  -28.9521
            33  C1b C    25.9500  -30.4941
            34  C1b C    26.8529  -31.6065
            35  C1a C    28.2560  -31.3821
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 2
            11    3  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    4  13 2
            16    5  14 2
            17   14  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   18  21 1
            25    7  22 1
            26   12  23 1
            27   10  24 1
            28   24  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   28  33 1
            37   33  34 1
            38   34  35 1

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