4-[(3aS,4R,9bR)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:126038)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126038 - 4-[(3aS,4R,9bR)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide

Take structure to advanced search

ChEBI ID	CHEBI:126038
ChEBI Name	4-[(3aS,4R,9bR)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
Stars
Downloads	Molfile

Formula	C27H33N3O3
Net Charge	0
Average Mass	447.579
Monoisotopic Mass	447.25219
SMILES	CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1
InChI	InChI=1S/C27H33N3O3/c1-28(2)26(32)19-9-7-17(8-10-19)20-11-12-23-22(15-20)25-21(24(16-31)29(23)3)13-14-30(25)27(33)18-5-4-6-18/h7-12,15,18,21,24-25,31H,4-6,13-14,16H2,1-3H3/t21-,24+,25-/m1/s1
InChIKey	UVWXPOHQQITWBC-IEZKXTBUSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-[(3aS,4R,9bR)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:126038) is a quinolines (CHEBI:26513)

Manual Xrefs	Databases
LSM-37605	LINCS