34C

(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID

Created:	2001-01-03
Last modified:	2011-06-04

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1 entries where 34C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

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Chemical Component Summary
Name	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-(3-chloro-4-propoxy-phenyl)ethanoic acid
Formula	C₁₁ H₁₃ Cl O₃
Molecular Weight	228.672
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(ccc1OCCC)CC(=O)O
SMILES	CACTVS	3.341	CCCOc1ccc(CC(O)=O)cc1Cl
SMILES	OpenEye OEToolkits	1.5.0	CCCOc1ccc(cc1Cl)CC(=O)O
Canonical SMILES	CACTVS	3.341	CCCOc1ccc(CC(O)=O)cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCOc1ccc(cc1Cl)CC(=O)O
InChI	InChI	1.03	InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)
InChIKey	InChI	1.03	QEJHPAGTOOIBFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02773
Name	(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid
Groups	experimental
Synonyms	(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682