JAL

4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol

Created:	2021-05-07
Last modified:	2021-11-24

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1 entries where JAL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of JAL

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Chemical Component Summary
Name	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
Synonyms	Dichlorophen
Systematic Name (OpenEye OEToolkits)	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
Formula	C₁₃ H₁₀ Cl₂ O₂
Molecular Weight	269.123
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
InChI	InChI	1.03	InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey	InChI	1.03	MDNWOSOZYLHTCG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11396
Name	Dichlorophen
Groups	experimental vet_approved
Description	Dichlorophen is an antimicrobial agent shown to exert activity against cestodes, protozoa, fungi, and bacteria. It is often combined with toluene to remove parasites including ascarids, tapeworm, and hookworm from dogs and cats.
Synonyms	Dichlorophen 2,2'-Methylenebis(4-chlorophenol) Dichlorophenum Dichlorophene Diclorofeno
Categories	Anthelmintics Anti-Infective Agents Anticestodal Agents Anticestodals Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiplatyhelmintic Agents Antiprotozoals Benzene Derivatives Chlorobenzenes Chlorophenols Phenols
ATC-Code	P02DX02
CAS number	97-23-4

Related Resource References

Resource Name	Reference
PubChem	3037
ChEMBL	CHEMBL33845
ChEBI	CHEBI:34689
CCDC/CSD	ZZZJKK01

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.