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CHEBI:232554 - CL316243

Default Structure
ChEBI IDCHEBI:232554
ChEBI NameCL316243
Stars
DefinitionCL316243 is a highly potent selective beta-3-adrenoceptor agonist with a EC50 of 3 nM, but is an extremely poor to beta1/2- receptors.
SubmitterBrianna Xu
DownloadsMolfile
FormulaC20H18ClNNa2O7
Net Charge0
Average Mass465.797
Monoisotopic Mass465.05672
SMILESC[C@H](Cc1ccc2c(c1)OC(C(=O)[O][Na])(C(=O)[O][Na])O2)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1
InChIKeyFUZBPOHHSBDTJQ-CFOQQKEYSA-L
ChEBI Ontology
Outgoing Relation(s)
CL316243 (CHEBI:232554) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
CL 316,243SUBMITTER
CL 316243SUBMITTER
CL-316,243SUBMITTER
CL-316243SUBMITTER
Disodium 5-[(2R)-2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate hydrateSUBMITTER
Registry NumbersSources
CAS:138908-40-4SUBMITTER