Compound: bendiocarb
SMILES: O=C(Oc1c2OC(C)(C)Oc2ccc1)NC
InChIKey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
Synonyms: bendiocarb, 22781-23-3, Bencarbate, Ficam, Niomil, Ficam W, Multamat, Dycarb, Garvox, Turcam, Ficam 80W, Ficam D, Ficam ULV, Bendiocarbamate, Multimet, Rotate, Tatoo, Seedox 80W, Fisons NC 6897, Bendiocarbe, Ficam B, Ficam ulv' ul, Ficam Z, 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate, 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate, DTXSID9032327, QFH0ZU0A5U, 2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate, 2,3-Isopropylidene-dioxyphenyl methylcarbamate, NC6897, Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester, 2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate, CHEBI:34556, 2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate, 1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-, Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester, 1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-, 2,2-Dimethyl-1,3-benzodioxole-N-methylcarbamate, Carbamic acid, methyl-, 2,3-(dimethylmethylenedioxy)phenyl ester, 2,3-Isopropylidenedioxyphenyl methylcarbamate, DTXCID7012327, 2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole, 2,2-dimethyl-2H-1,3-benzodioxol-4-yl N-methylcarbamate, RefChem:916826, 245-216-8, Tattoo, OMS-1394, (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate, 2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate, Seedoxin, Sedox, Bendiocarbe [ISO-French], Bendiocarb [ANSI:BSI:ISO], CAS-22781-23-3, CCRIS 9062, HSDB 3918, EINECS 245-216-8, UNII-QFH0ZU0A5U, RCRA waste no. U278, EPA Pesticide Chemical Code 105201, NC 6897, BRN 1315404, Fuam, AI3-27695, Garvox 3G, 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methyl carbamate, Ficam 80 W, Spectrum_001917, BENDIOCARB [MI], SpecPlus_000548, Ficam plus (Salt/Mix), BENDIOCARB [ISO], Spectrum2_001726, Spectrum3_000854, Spectrum4_000694, Spectrum5_002026, BENDIOCARB [HSDB], BENDIOCARB [MART.], SCHEMBL22080, BSPBio_002467, KBioGR_001187, KBioSS_002459, SPECTRUM330063, MLS002695990, DivK1c_006644, SPBio_001772, 2,2-dimethylbenzo[d][1,3]dioxol-4-yl methylcarbamate, CHEMBL465018, SCHEMBL27847663, KBio1_001588, KBio2_002452, KBio2_005020, KBio2_007588, KBio3_001967, XEGGRYVFLWGFHI-UHFFFAOYSA-, GLXC-15987, HMS3087C14, MSK20250, Tox21_201562, Tox21_300777, BDBM50064618, CCG-39499, AKOS015888418, NCGC00094543-01, NCGC00094543-02, NCGC00094543-03, NCGC00094543-04, NCGC00094543-05, NCGC00094543-06, NCGC00094543-07, NCGC00254681-01, NCGC00259111-01, SMR000777869, DB-045987, CS-0081335, NS00001535, Bendiocarb, PESTANAL(R), analytical standard, F21336, Q417017, 2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate #, 2,2-Dimethyl-2H-1,3-benzodioxol-4-yl methylcarbamate, carbamic acid, N-methyl-, 2,3-isopyridenyldioxyphenyl ester, InChI=1/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
Theoretical properties:
molecular_formula: C11H13NO4
molecular_weight: 223.22 g/mol
exact_mass: 223.08445790 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 16
topological_polar_surface_area: 56.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White powder
color: White powder
odor: Odorless
melting_point: 129.6 °C
density: 1.25 g/cu cm at 20 °C
solubility: In water, 260 mg/L at 25 °C
vapor_pressure: 0.0000345 [mmHg]
Descriptions:
{"pubchem": "Bendiocarb is a carbamate ester and a member of benzodioxoles. It has a role as an agrochemical, a carbamate insecticide and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a methylcarbamic acid.", "chebi": null, "chembl": "BENDIOCARB is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Bendiocarb is an acutely toxic carbamate insecticide used in public health and agriculture and is effective against a wide range of nuisance and disease vector insects. Many bendiocarb products are or were sold under the tradenames \"Ficam\" and \"Turcam.\"\nAll bendiocarb-containing products in the United States were recently cancelled, after its manufacturers voluntarily chose to pull their products off the market, rather than conduct additional safety studies required by the EPA. In other countries, it is still used in homes, industrial plants, and food storage sites to control bedbugs, mosquitoes, flies, wasps, ants, fleas, cockroaches, silverfish, and ticks but can be used against a wide variety of insects as well as snails and slugs. It is one of 12 insecticides recommended by the World Health Organization for use in malaria control.\nBendiocarb is not considered to be carcinogenic, but it is acutely toxic. Like other carbamates, it reversibly inhibits acetylcholinesterase, an enzyme required for normal transmission of nerve impulses. Bendiocarb binds to the active site of this enzyme leading to an accumulation of acetylcholine, which is required for the transmission of nerve impulses, at nerve muscle sites.\nBendiocarb was invented in 1971 and was first introduced into the market by Fisons Ltd. It is currently marketed by Bayer CropScience and Kuo Ching under various trade names: Ficam, Dycarb, Garvox, Turcam, Niomil, Seedox, Tattoo\nBendiocarb is highly toxic to birds and fish. In addition, recently, a study in bone marrow cells of Calotes versicolor lizard demonstrated that chronic exposure to this contaminant increases the level of cytoxicity and genotoxicity (Anisha et al., 2019). In mammalian tissue, carbamates are generally excreted rapidly and do not accumulate."}