encaleret (CHEBI:749959)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:749959 - encaleret

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:749959
ChEBI Name	encaleret
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C29H33ClFNO4
Net Charge	0
Average Mass	514.037
Monoisotopic Mass	513.20821
SMILES	Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O
InChI	InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
InChIKey	UNFHDRVFEQPUEL-DENIHFKCSA-N

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:	central nervous system stimulant Any drug that enhances the activity of the central nervous system.

ChEBI Ontology

Outgoing Relation(s)
	encaleret (CHEBI:749959) is a amphetamines (CHEBI:35338)

INN	Source
encaleret	WHO MedNet

Synonym	Source
JTT-305	ChEMBL

Citations