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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6Cl6O3S
Molecular Weight 406.9262
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENDOSULFAN I

SMILES

C1[C@@]2([H])[C@@]([H])(CO[S@](=O)O1)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChIKey=RDYMFSUJUZBWLH-BEJSPLBDSA-N
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+

HIDE SMILES / InChI

Molecular Formula C9H6Cl6O3S
Molecular Weight 406.9262
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.
2004 Apr
A PXR reporter gene assay in a stable cell culture system: CYP3A4 and CYP2B6 induction by pesticides.
2004 Dec 15
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007 Jan
Substance Class Chemical
Created
by admin
on Sat Jun 26 04:20:19 UTC 2021
Edited
by admin
on Sat Jun 26 04:20:19 UTC 2021
Record UNII
QY5Y9R7G0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENDOSULFAN I
Common Name English
ENDOSULFAN A
Common Name English
6,9-METHANO-2,4,3-BENZODIOXATHIEPIN, 6,7,8,9,10,10-HEXACHLORO-1,5,5A,6,9,9A-HEXAHYDRO-, 3-OXIDE
Common Name English
.ALPHA.-ENDOSULFAN
Common Name English
ENDOSULFAN [MART.]
Common Name English
THIODAN I
Brand Name English
1,4,5,6,7,7-HEXACHLORO-5-NORBORNENE-2,3-DIMETHANOL CYCLIC SULFITE
Common Name English
ALPHA-ENDOSULFAN [ISO]
Common Name English
ALPHA-ENDOSULFAN
ISO  
Common Name English
.ALPHA.-BENZOEPIN
Common Name English
.ALPHA.-THIODAN
Common Name English
6,9-METHANO-2,4,3-BENZODIOXATHIEPIN, 6,7,8,9,10,10-HEXACHLORO-1,5,5A,6,9,9A-HEXAHYDRO-, 3-OXIDE, (3.ALPHA.,5A.BETA.,6.ALPHA.,9.ALPHA.,9A.BETA.)-
Common Name English
5-NORBORNENE-2,3-DIMETHANOL, 1,4,5,6,7,7-HEXACHLORO-, CYCLIC SULFITE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 79402
Created by admin on Sat Jun 26 04:20:19 UTC 2021 , Edited by admin on Sat Jun 26 04:20:19 UTC 2021
Code System Code Type Description
CAS
959-98-8
Created by admin on Sat Jun 26 04:20:19 UTC 2021 , Edited by admin on Sat Jun 26 04:20:19 UTC 2021
PRIMARY
FDA UNII
QY5Y9R7G0E
Created by admin on Sat Jun 26 04:20:19 UTC 2021 , Edited by admin on Sat Jun 26 04:20:19 UTC 2021
PRIMARY
EPA CompTox
959-98-8
Created by admin on Sat Jun 26 04:20:19 UTC 2021 , Edited by admin on Sat Jun 26 04:20:19 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
INN VITRO