rafabegron (CHEBI:748056)

CHEBI:748056 - rafabegron

Formula	C21H23ClN2O4
Net Charge	0
Average Mass	402.878
Monoisotopic Mass	402.13463
SMILES	C[C@H](Cc1cnc2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChI	InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
InChIKey	FHEYFIGWYQJVDR-ACJLOTCBSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	rafabegron (CHEBI:748056) is a monocarboxylic acid (CHEBI:25384)

INN	Source
rafabegron	WHO MedNet

Citations