Marvin  06210711132D          

 18 18  0  0  0  0            999 V2000
   -0.2187    1.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    0.7500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9332    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6477    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6477    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0766    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7911    1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0766    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7911    0.3375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -0.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
 12  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  8 10  2  0  0  0  0
 10 12  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:34631

> <NAME>
chlorpyrifos

> <DEFINITION>
An  organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.

> <STAR>
3

> <SYNONYM>
Trichlorpyrphos; Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester; o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate; O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate; m-Chlorpyrifos; Chlorpyriphos; Chlorpyrifos-ethyl; chlorpyrifos ethyl; Chlorpyrifos; chlorpyrifos

> <IUPAC_NAME>
O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate

> <BRAND_NAME>
Warhawk; Tricel; Stipend; Piridane; Nufos; Lorsban; Lock-On; Lentrek; Eradex; Equity; Empire; Dursban; Dowco 179; Detmol; Cobalt; Brodan; Bolton

> <FORMULA>
C9H11Cl3NO3PS

> <MASS>
350.58644

> <MONOISOTOPIC_MASS>
348.92628

> <CHARGE>
0

> <SMILES>
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl

> <INCHI>
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

> <INCHIKEY>
SBPBAQFWLVIOKP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2921-88-2

> <REAXYS_REGISTRY_NUMBER>
1545756

> <CHEMIDPLUS>
2921-88-2

> <KEGG_COMPOUND_ACCESSION>
C14322

> <KEGG_DRUG_ACCESSION>
D07688

> <NIST_CHEMISTRY_WEBBOOK>
2921-88-2

> <PESTICIDES_ACCESSION>
chlorpyrifos

> <WIKIPEDIA_ACCESSION>
Chlorpyrifos

> <PUBMED_CITATION>
11882345; 18166376; 31152760

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