IUPAC name
N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]guanidine
SMILES
CN=C(NCC1CCOC1)NN(=O)=O
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
dinotefuran
IUPAC name
N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]guanidine
SMILES
CN=C(NCC1CCOC1)NN(=O)=O
INCHI
InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
FORMULA
C7H14N4O3
Common name
dinotefuran
IUPAC name
N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]guanidine
Molecular weight
202.211
clogP
-1.295
clogS
-1.353
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
79.79
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00385 | N,N'-dimethylformamidine |
|
N(C=NC)C | 0.0014 |
| FDBF00389 | N'-methylformamidine |
|
NC=NC | 0.0024 |
| FDBF00774 | tetrahydrofuran |
|
O1CCCC1 | 0.0069 |
| FDBF03589 | N-methylmethanimine |
|
CN=C | 0.0014 |
| FDBF04874 | (3S)-3-methyloxolane |
|
[C@H]1(COCC1)C | 0.0003 |
| FDBF04875 | [(3R)-oxolan-3-yl]methanamine |
|
[C@H]1(COCC1)CN | 0.0003 |
| FDBF04876 | N'-methyl-N-[[(3R)-oxolan-3-yl]methyl]methanimidamide |
|
[C@H]1(COCC1)CN/C=N/C | 0.0003 |
7 ,
1
