KEGG   DRUG: AmitrazHelp
Entry
D02380                      Drug                                   

Name
Amitraz (USP/INN)
Formula
C19H23N3
Exact mass
293.1892
Mol weight
293.406
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C10995
Efficacy
Scabicide, Octopamine receptor agonist
Target
Octopamine receptor [KO:K04165]
Other DBs
CAS: 33089-61-1
PubChem: 7849439
ChEBI: 2665
ChEMBL: CHEMBL1365675
LigandBox: D02380
NIKKAJI: J1.887B
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    24.8766  -17.4376
            2   C8x C    15.2332  -17.4587
            3   C8y C    15.2332  -18.8541
            4   C8x C    16.4458  -19.5485
            5   C8y C    17.6443  -18.8541
            6   C8y C    17.6443  -17.4587
            7   C8x C    16.4458  -16.7573
            8   N2b N    18.8450  -16.7573
            9   C2b C    20.0514  -17.4516
            10  N1c N    21.2578  -16.7502
            11  C2b C    22.4640  -17.4446
            12  N2b N    23.6702  -16.7433
            13  C1a C    21.2545  -15.2152
            14  C1a C    14.0240  -19.5492
            15  C1a C    18.8543  -19.5477
            16  C8y C    24.8784  -18.8297
            17  C8x C    26.0917  -19.5282
            18  C8y C    27.3032  -18.8266
            19  C8x C    27.3015  -17.4345
            20  C8x C    26.0881  -16.7360
            21  C1a C    23.6456  -19.5438
            22  C1a C    28.5156  -19.5245
BOND        23
            1     5   6 1
            2     6   7 2
            3     7   2 1
            4     6   8 1
            5     8   9 2
            6     9  10 1
            7    10  11 1
            8    11  12 2
            9    12   1 1
            10   10  13 1
            11    3  14 1
            12    2   3 2
            13    5  15 1
            14    3   4 1
            15    4   5 2
            16    1  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21    1  20 1
            22   16  21 1
            23   18  22 1

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