KEGG   DRUG: NiclosamideHelp
Entry
D00436                      Drug                                   

Name
Niclosamide (USAN/INN);
Niclocide (TN)
Formula
C13H8Cl2N2O4
Exact mass
325.9861
Mol weight
327.1196
Structure
Mol fileKCF fileDB search
Remark
ATC code: P02DA01
Efficacy
Anthelmintic
Comment
Salicylanilide [CPD:C18915] derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P02 ANTHELMINTICS
   P02D ANTICESTODALS
    P02DA Salicylic acid derivatives
     P02DA01 Niclosamide
      D00436  Niclosamide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 50-65-7
PubChem: 7847502
ChEBI: 7553
ChEMBL: CHEMBL1448
LigandBox: D00436
NIKKAJI: J4.106H
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    22.6746  -15.9368
            2   C5a C    23.8527  -16.6541
            3   C8y C    22.7096  -14.5487
            4   C8x C    21.4440  -16.5958
            5   N1b N    25.0716  -16.0009
            6   O5a O    23.8876  -18.0422
            7   C8x C    21.5197  -13.8197
            8   O1a O    23.9286  -13.8838
            9   C8y C    20.2657  -15.8784
            10  C8y C    26.2556  -16.7184
            11  C8x C    20.3007  -14.4846
            12  X   Cl   19.0467  -16.5376
            13  C8y C    27.4572  -16.0359
            14  C8x C    26.2556  -18.1123
            15  C8x C    28.6586  -16.7241
            16  X   Cl   27.4572  -14.6478
            17  C8x C    27.4572  -18.8062
            18  C8y C    28.6586  -18.1065
            19  N2b N    29.8601  -18.8062 #+
            20  O3a O    31.1723  -17.8264
            21  O3a O    29.8659  -20.2177 #-
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 2
            13   10  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 2
            17   15  18 2
            18   18  19 1
            19   19  20 2
            20   19  21 1
            21    9  11 1
            22   17  18 1

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