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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22ClNO2
Molecular Weight 283.794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-METOLACHLOR

SMILES

CCC1=CC=CC(C)=C1N([C@@H](C)COC)C(=O)CCl

InChI

InChIKey=WVQBLGZPHOPPFO-LBPRGKRZSA-N
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22ClNO2
Molecular Weight 283.794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001 Mar
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:14:12 GMT 2023
Edited
by admin
on Sat Dec 16 00:14:12 GMT 2023
Record UNII
1O4NMK7I6H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-METOLACHLOR
ISO  
Common Name English
DUAL II MAGNUM
Brand Name English
S-METHOLACHLOR
Common Name English
.ALPHA.-METOLACHLOR
Common Name English
(S)-METOLACHOR
Common Name English
METOLACHLOR S-FORM [MI]
Common Name English
S-METOLACHLOR [ISO]
Common Name English
METOLACHLOR, (S)-
Common Name English
ACETAMIDE, 2-CHLORO-N-(2-ETHYL-6-METHYLPHENYL)-N-((1S)-2-METHOXY-1-METHYLETHYL)-
Systematic Name English
METOLACHLOR S-FORM
MI  
Common Name English
BRAWL
Brand Name English
DUAL GOLD
Brand Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 108800
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
Code System Code Type Description
ALANWOOD
S-metolachlor
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY
CAS
87392-12-9
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY
PUBCHEM
11140605
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID6032431
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY
MERCK INDEX
m7493
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY Merck Index
FDA UNII
1O4NMK7I6H
Created by admin on Sat Dec 16 00:14:12 GMT 2023 , Edited by admin on Sat Dec 16 00:14:12 GMT 2023
PRIMARY