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Details

Stereochemistry RACEMIC
Molecular Formula C15H13Cl3O2
Molecular Weight 331.622
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONODEMETHYLMETHOXYCHLOR

SMILES

COC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)C(Cl)(Cl)Cl

InChI

InChIKey=BUZUQNXGKRJIJT-UHFFFAOYSA-N
InChI=1S/C15H13Cl3O2/c1-20-13-8-4-11(5-9-13)14(15(16,17)18)10-2-6-12(19)7-3-10/h2-9,14,19H,1H3

HIDE SMILES / InChI

Molecular Formula C15H13Cl3O2
Molecular Weight 331.622
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Catalytic characteristics of CYP3A4: requirement for a phenolic function in ortho hydroxylation of estradiol and mono-O-demethylated methoxychlor.
1997 Feb 25
Prosubstrates of CYP3A4, the major human hepatic cytochrome P450: transformation into substrates by other P450 isoforms.
1998 Jun 1
Human cytochrome P450-catalyzed conversion of the proestrogenic pesticide methoxychlor into an estrogen. Role of CYP2C19 and CYP1A2 in O-demethylation.
1998 Sep
Enantioselective metabolism of the endocrine disruptor pesticide methoxychlor by human cytochromes P450 (P450s): major differences in selective enantiomer formation by various P450 isoforms.
2002 Dec
Influence of dietary Coexposure to benzo(a)pyrene on the biotransformation and distribution of 14C-methoxychlor in the channel catfish (Ictalurus punctatus).
2009 Apr
Estrogen receptor alpha overexpressing mouse antral follicles are sensitive to atresia induced by methoxychlor and its metabolites.
2012 Jun
Substance Class Chemical
Created
by admin
on Sat Dec 17 17:46:18 UTC 2022
Edited
by admin
on Sat Dec 17 17:46:18 UTC 2022
Record UNII
Y8I9CWQ645
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONODEMETHYLMETHOXYCHLOR
Common Name English
1,1,1-TRICHLORO-2-(4-HYDROXYPHENYL)-2-(4-METHOXYPHENYL)ETHANE
Systematic Name English
PHENOL, P-(P-METHOXY-.ALPHA.-(TRICHLOROMETHYL)BENZYL)-
Common Name English
2-(4-METHOXYPHENYL)-2-(4-HYDROXYPHENYL)-1,1,1-TRICHLOROETHANE
Systematic Name English
PHENOL, 4-(2,2,2-TRICHLORO-1-(4-METHOXYPHENYL)ETHYL)-
Systematic Name English
2-(P-HYDROXYPHENYL)-2-(P-METHOXYPHENYL)-1,1,1-TRICHLOROETHANE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID0022482
Created by admin on Sat Dec 17 17:46:18 UTC 2022 , Edited by admin on Sat Dec 17 17:46:18 UTC 2022
PRIMARY
PUBCHEM
183679
Created by admin on Sat Dec 17 17:46:18 UTC 2022 , Edited by admin on Sat Dec 17 17:46:18 UTC 2022
PRIMARY
CAS
28463-03-8
Created by admin on Sat Dec 17 17:46:18 UTC 2022 , Edited by admin on Sat Dec 17 17:46:18 UTC 2022
PRIMARY
FDA UNII
Y8I9CWQ645
Created by admin on Sat Dec 17 17:46:18 UTC 2022 , Edited by admin on Sat Dec 17 17:46:18 UTC 2022
PRIMARY
Related Record Type Details
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