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

[O-][S@@+]1OC[C@H]2[C@@H](CO1)[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
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007-01	17003167
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
A PXR reporter gene assay in a stable cell culture system: CYP3A4 and CYP2B6 induction by pesticides.	2004-12-15	15548381
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.	2004-04	15064155
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.	2001-03	11258977

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:13:59 GMT 2025` Edited by `admin` on `Mon Mar 31 19:13:59 GMT 2025`
Record UNII	QY5Y9R7G0E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALPHA-ENDOSULFAN

Preferred Name

English

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.-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