1.0 2018-10-03 16:34:04 UTC 2020-06-04 18:57:30 UTC BMDB0063619 BMDB63619 beta-endosulfan Endosulfan II is a polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). 6-Hydroxy-1-methyl-1,2,3,4-tetrahydro-b-carboline 6-Hydroxy-1-methyl-1,2,3,4-tetrahydro-β-carboline b-endoSulfan b-endoSulphan beta-endoSulphan Β-endosulfan Β-endosulphan C9H6Cl6O3S 406.9 403.8168814 (1R,2R,5R,8S,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.0^{2,8}]dodec-10-en-5-one (1R,2R,5R,8S,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.0^{2,8}]dodec-10-en-5-one [H][C@]12CO[S@](=O)OC[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-,19- RDYMFSUJUZBWLH-FYHLGZKHSA-N belongs to the class of organic compounds known as sulfite esters. These are organic compounds containing an organic group attached to the sulfite oxoanion, with the formula R[SO3]2-. Organic compounds Organic oxygen compounds Organic oxoanionic compounds Organic sulfites Sulfite esters Alkyl chlorides Chloroalkenes Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Oxacyclic compounds Vinyl chlorides Aliphatic heteropolycyclic compound Alkyl chloride Alkyl halide Chloroalkene Haloalkene Hydrocarbon derivative Organic oxide Organochloride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sulfite ester Vinyl chloride Vinyl halide Aliphatic heteropolycyclic compounds logp 4.32 ALOGPS logs -3.16 ALOGPS logp 2.6 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac (1R,2R,5R,8S,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.0^{2,8}]dodec-10-en-5-one ChemAxon average_mass 406.9 ChemAxon mono_mass 403.8168814 ChemAxon smiles [H][C@]12CO[S@](=O)OC[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ChemAxon formula C9H6Cl6O3S ChemAxon inchi InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-,19- ChemAxon inchikey RDYMFSUJUZBWLH-FYHLGZKHSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 76.98 ChemAxon polarizability 31.63 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1296715 Specdb::MsMs 1296716 Specdb::MsMs 1296717 Specdb::MsMs 1411357 Specdb::MsMs 1411358 Specdb::MsMs 1411359 Specdb::MsMs 3609565 Specdb::MsMs 3609566 Specdb::MsMs 3609567 Specdb::MsMs 3609568 Specdb::MsMs 3609569 Specdb::MsMs 3609570 Milk 0.00492 +/- 0.0113 uM Raw bovine milk from Haryana (n=147) Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431 16736499 C00045190 Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431