CHLOROPROPYLATE

First approved in 2013

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H16Cl2O3
Molecular Weight	339.213
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)OC(=O)C(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N

InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C17H16Cl2O3
Molecular Weight	339.213
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays.	2011-02-27	21115097
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.	2004-04	15064155

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:35:02 GMT 2025` Edited by `admin` on `Mon Mar 31 17:35:02 GMT 2025`
Record UNII	GI03ROM7HQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROPROPYLATE

Common Name

English

ROSPIN

Preferred Name

English

ACARALATE

Common Name

English

ROSPINE

Brand Name

English

BENZILIC ACID, 4,4'-DICHLORO-, ISOPROPYL ESTER

Common Name

English

BENZENEACETIC ACID, 4-CHLORO-.ALPHA.-(4-CHLOROPHENYL)-.ALPHA.-HYDROXY-, 1-METHYLETHYL ESTER

Common Name

English

ENT-26999

Code

English

CHLOROPROPYLATE [HSDB]

Common Name

English

CHLOROPROPYLATE [ISO]

Common Name

English

ISOPROPYL 4,4'-DICHLOROBENZILATE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

26801