loading...| Preferred Name |
aldrin |
|
| Synonyms |
(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene Compound 118 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene HHDN aldrine |
|
| Definitions |
An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2564 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:28101603 Wikipedia:Aldrin PMID:18427830 Pesticides:aldrin CAS:309-00-2 KEGG:C07552 Patent:US2911447 PMID:26449612 PMID:21724225 Patent:US2635977 Reaxys:2336652 PMID:28393264 PPDB:21 |
|
| definition |
An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. |
|
| formula |
C12H8Cl6 |
|
| has_exact_synonym |
(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene Compound 118 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene HHDN aldrine |
|
| id |
CHEBI:2564 |
|
| in_subset | ||
| inchi |
InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- |
|
| inchikey |
QBYJBZPUGVGKQQ-SJJAEHHWSA-N |
|
| label |
aldrin |
|
| mass |
364.91000 |
|
| monoisotopicmass |
361.87572 |
|
| notation |
CHEBI:2564 |
|
| prefLabel |
aldrin |
|
| RO_0000087 | ||
| smiles |
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl |
|
| subClassOf |