U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H17O4PS2
Molecular Weight 320.365
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENTHOATE

SMILES

CCOC(=O)C(SP(=S)(OC)OC)C1=CC=CC=C1

InChI

InChIKey=XAMUDJHXFNRLCY-UHFFFAOYSA-N
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H17O4PS2
Molecular Weight 320.365
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:21:23 UTC 2023
Edited
by admin
on Sat Dec 16 01:21:23 UTC 2023
Record UNII
J96Q7F091K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENTHOATE
HSDB   ISO  
Common Name English
PHENTHOATE (PAP) FENTHOATE
Common Name English
BAYER-18,510
Code English
TAGSON
Brand Name English
PHENDAL
Common Name English
BAYER-18510
Code English
ACETIC ACID, MERCAPTOPHENYL-, ETHYL ESTER O,O-DIMETHYL PHOSPHORODITHIOATE
Common Name English
O,O-DIMETHYL S-.ALPHA.-ETHOXYCARBONYLBENZYL PHOSPHORODITHIOATE
Common Name English
DIMEPHENTHOATE
Common Name English
PAPTHION
Common Name English
ETHYL ((DIMETHOXYPHOSPHOROTHIOYL)SULFANYL)(PHENYL)ACETATE
Systematic Name English
S-.ALPHA.-ETHOXYCARBONYLBENZYL DIMETHYL PHOSPHOROTHIOLOTHIONATE
Common Name English
S-(.ALPHA.-(ETHOXYCARBONYL)BENZYL) O,O-DIMETHYL PHOSPHORODITHIOATE
Systematic Name English
PHENTHOATE [HSDB]
Common Name English
BENZENEACETIC ACID, .ALPHA.-((DIMETHOXYPHOSPHINOTHIOYL)THIO)-, ETHYL ESTER
Common Name English
BAY-33051
Code English
(±)-PHENTHOATE
Common Name English
PAP
Common Name English
TSIDIAL
Brand Name English
ACETIC ACID, MERCAPTOPHENYL-, ETHYL ESTER, S-ESTER WITH O,O-DIMETHYL PHOSPHORODITHIOATE
Common Name English
ETHYL .ALPHA.-((DIMETHOXYPHOSPHINOTHIOYL)THIO)BENZENEACETATE
Systematic Name English
ETHYL A-((DIMETHOXYPHOSPHINOTHIOYL)THIO)BENZENEACETATE
Common Name English
PHENTHOATE [ISO]
Common Name English
PHOSPHORODITHIOIC ACID, O,O-DIMETHYL ESTER, S-ESTER WITH ETHYL MERCAPTOPHENYLACETATE
Common Name English
PHENTHOATE, (±)-
Common Name English
Code System Code Type Description
NCI_THESAURUS
C163686
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
MESH
C008838
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
ALANWOOD
phenthoate
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
ECHA (EC/EINECS)
219-997-0
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
HSDB
1708
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID6042280
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
PUBCHEM
17435
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
FDA UNII
J96Q7F091K
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
WIKIPEDIA
PHENTHOATE
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
CAS
2597-03-7
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
CHEBI
34917
Created by admin on Sat Dec 16 01:21:23 UTC 2023 , Edited by admin on Sat Dec 16 01:21:23 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
CYP2C9 activity was extensively inhibited (more than 90% inhibition) by organophosphorus insecticides phenthoate
METABOLIC ENZYME -> INHIBITOR
Extensive inhibitions of CYP2A6-associated activity (94–98%) were observed with phenthoate
METABOLIC ENZYME -> INHIBITOR
Phenthoate inhibited CYP1A1/2 activities more than 90%.
METABOLIC ENZYME -> INHIBITOR
Screening of potential CYP2B6 inhibitions illustrates that CYP2B6 activity was extensively inhibited by all tested organophosphate pesticides. Phenthoate resulted in 91% inhibition.
METABOLIC ENZYME -> INHIBITOR
Phenthoate inhibited CYP1A1/2 activities more than 90%.
METABOLIC ENZYME -> INHIBITOR
Human hepatic CYP2C8 activities after incubation with different pesticides showed that CYP2C8 activities were inhibited extensively by phenthoate (100,90%).