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RS 39604
"An aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies."


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 neurotransmitter agent [CHEBI:35942] (471) 
 serotonergic drug [CHEBI:48278] (109) 
 serotonergic antagonist [CHEBI:48279] (52) 
 RS 39604 [CHEBI:64083] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 halogen molecular entity [CHEBI:24471] (1475) 
 chlorine molecular entity [CHEBI:23117] (884) 
 organochlorine compound [CHEBI:36683] (543) 
 RS 39604 [CHEBI:64083] (1)
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organochlorine compound [CHEBI:36683] (543) 
 RS 39604 [CHEBI:64083] (1)
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 sulfonamide [CHEBI:35358] (106) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 RS 39604 [CHEBI:64083] (1)
 sulfur molecular entity [CHEBI:26835] (1541) 
 sulfur oxoacid derivative [CHEBI:33424] (628) 
 sulfonic acid derivative [CHEBI:33552] (393) 
 sulfonamide [CHEBI:35358] (106) 
 RS 39604 [CHEBI:64083] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 RS 39604 [CHEBI:64083] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organohalogen compound [CHEBI:36684] (976) 
 organochlorine compound [CHEBI:36683] (543) 
 RS 39604 [CHEBI:64083] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 RS 39604 [CHEBI:64083] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 RS 39604 [CHEBI:64083] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 aromatic compound [CHEBI:33655] (3799) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 monocyclic compound [CHEBI:33661] (2007) 
 heteromonocyclic compound [CHEBI:33670] (2004) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 heterocyclic compound [CHEBI:5686] (5275) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 heteromonocyclic compound [CHEBI:33670] (2004) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic heterocyclic compound [CHEBI:24532] (5243) 
 organic heteromonocyclic compound [CHEBI:25693] (2004) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organonitrogen heterocyclic compound [CHEBI:38101] (3202) 
 piperidines [CHEBI:26151] (143) 
 RS 39604 [CHEBI:64083] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic ether [CHEBI:35618] (353) 
 RS 39604 [CHEBI:64083] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 RS 39604 [CHEBI:64083] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 oxoacid derivative [CHEBI:33241] (3254) 
 sulfur oxoacid derivative [CHEBI:33424] (628) 
 sulfonic acid derivative [CHEBI:33552] (393) 
 sulfonamide [CHEBI:35358] (106) 
 RS 39604 [CHEBI:64083] (1)
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organochlorine compound [CHEBI:36683] (543) 
 RS 39604 [CHEBI:64083] (1)
ChEBI Compound Accession Identifier  [CHEBI:64083]
ChEBI Compound Description  "An aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies."
ChEBI Compound Identification Number  64083
ChEBI InChI Value  InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
ChEBI InChIKey Value  BKVIWGRFRKLFIO-UHFFFAOYSA-N
ChEBI Compound Name  RS 39604
ChEBI SMILES Value  COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
ChEBI Substance ID  135610886
ChEBI URL  ChEBI:64083
ChemSpider ID  4319521
Ontomatica Chemical Accession Key (OnChAKey)  BKVIWGRFRKLFIO_UHFFFAOYSA_N_000_000000
PubChem Compound ID  5145950