KEGG   DRUG: NitroscanateHelp
Entry
D05193                      Drug                                   

Name
Nitroscanate (USAN/INN)
Formula
C13H8N2O3S
Exact mass
272.0256
Mol weight
272.2792
Structure
Mol fileKCF fileDB search
Efficacy
Anthelmintic (veterinary)
Other DBs
CAS: 19881-18-6
PubChem: 47206912
ChEMBL: CHEMBL304432
LigandBox: D05193
NIKKAJI: J11.029I
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    22.6566  -17.0363
            2   C8y C    22.6566  -18.4387
            3   C8x C    23.8486  -19.1399
            4   C8x C    25.1107  -18.4387
            5   C8y C    25.1107  -17.0363
            6   C8x C    23.8486  -16.3352
            7   N2b N    21.4646  -19.1399 #+
            8   O3a O    20.2025  -18.4387 #-
            9   O3a O    21.4646  -20.5422
            10  O2a O    26.3027  -16.3352
            11  C8y C    27.5648  -17.0363
            12  C8x C    27.5648  -18.4387
            13  C8x C    28.7568  -19.1399
            14  C8y C    29.9488  -18.4387
            15  C8x C    29.9488  -17.0363
            16  C8x C    28.7568  -16.3352
            17  N2b N    31.1408  -19.1399
            18  C0  C    32.3532  -19.8399
            19  S0  S    33.5656  -20.5399
BOND        20
            1     2   3 1
            2     7   9 2
            3     3   4 2
            4     5  10 1
            5     4   5 1
            6     5   6 2
            7     6   1 1
            8     2   7 1
            9     1   2 2
            10    7   8 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 2

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