4B3

4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID


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Chemical Component Summary

Name4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID
Identifiers4-bromo-3-(carboxymethyloxy)-5-[3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophene-2-carboxylic acid
FormulaC23 H28 Br N O5 S
Molecular Weight510.441
TypeNON-POLYMER
Isomeric SMILESCC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C
InChIInChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-6-13(8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)
InChIKeyOSQARHVGUZHHGT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count61
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL243942
PubChem 17759043
ChEMBL CHEMBL243942