CHLORPYRIFOS

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11Cl3NO3PS
Molecular Weight	350.586
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHLORPYRIFOS

Structure Search

SMILES

CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1

InChI

InChIKey=SBPBAQFWLVIOKP-UHFFFAOYSA-N

InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H11Cl3NO3PS
Molecular Weight	350.586
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:21:05 UTC 2023` Edited by `admin` on `Fri Dec 15 15:21:05 UTC 2023`
Record UNII	JCS58I644W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CHLORPYRIFOS

Common Name

English

CHLORPYRIFOS [MI]

Common Name

English

CHLORPYRIFOS [MART.]

Common Name

English

CHLORPYRIFOS [HSDB]

Common Name

English

CHLOROPYRIFOS

Common Name

English

NSC-755891

Code

English

O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL) PHOSPHOROTHIOATE

Systematic Name

English

CHLORPYRIFOS [ISO]

Common Name

English

O,O-DIETHYL O-3,5,6-TRICHLORO-2-PYRIDYL PHOSPHOROTHIOATE

Common Name

English

ENT-27311

Code

English

DURSBAN

Brand Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

59101

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

Code System Code Type Description

MESH

D004390

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

ALANWOOD

chlorpyrifos

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

HSDB

389

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

CAS

2921-88-2

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

MERCK INDEX

m3465

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

Merck Index

ECHA (EC/EINECS)

220-864-4

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

FDA UNII

JCS58I644W

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

NSC

755891

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

PUBCHEM

2730

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

EVMPD

SUB33137

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

CHEBI

34631

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

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WIKIPEDIA

CHLORPYRIFOS

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

SMS_ID

100000125916

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

NCI_THESAURUS

C163641

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID4020458

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

ChEMBL

CHEMBL463210

Created by admin on Fri Dec 15 15:21:05 UTC 2023 , Edited by admin on Fri Dec 15 15:21:05 UTC 2023

PRIMARY

Related Record Type Details


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> INHIBITOR

Comments:

Chlorpyrifos inhibited CYP1A1/2 activities more than 90%.

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> INHIBITOR

Comments:

Screening of potential CYP2B6 inhibitions illustrates that CYP2B6 activity was extensively inhibited by all tested organophosphate pesticides. Inhibition percentages were 100% with chlorpyrifos.


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> SUBSTRATE


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> INHIBITOR

Comments:

Chlorpyrifos inhibited CYP1A1/2 activities more than 90%.


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					FND2ADQ374

O,O-DIETHYL PHOSPHOROTHIOATE

METABOLITE -> PARENT

Comments:

IN VITRO

Amount:


					W0QQU4CAB7

DIETHYL PHOSPHATE

METABOLITE -> PARENT

Comments:

IN VITRO

Amount:


					7RC6H1MPX6

CHLORPYRIFOS OXON

PARENT -> METABOLITE

Amount:


					JS52YZJ84A

3,5,6-TRICHLORO-2-PYRIDINONE

METABOLITE -> PARENT

Comments:

IN VITRO

Amount:

Related Record Type Details


					JCS58I644W

ACTIVE MOIETY

Amount: