ENDOSULFAN I

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6Cl6O3S
Molecular Weight	406.925
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CO[S@@+]([O-])OC[C@@]1([H])[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(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	406.925
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.	2001 Mar	11258977
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.	2004 Apr	15064155
A PXR reporter gene assay in a stable cell culture system: CYP3A4 and CYP2B6 induction by pesticides.	2004 Dec 15	15548381
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007 Jan	17003167

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:30:06 UTC 2023` Edited by `admin` on `Fri Dec 15 18:30:06 UTC 2023`
Record UNII	QY5Y9R7G0E
Record Status	`Validated (UNII)`
Record Version

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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

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