CHEBI:130998 - (3aS,4S,9bR)-8-[3-[dimethylamino(oxo)methyl]phenyl]-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3aS,4S,9bR)-8-[3-[dimethylamino(oxo)methyl]phenyl]-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
ChEBI ID CHEBI:130998
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H34N4O4
Net Charge 0
Average Mass 514.616
Monoisotopic Mass 514.25801
InChI InChI=1S/C30H34N4O4/c1-32(2)29(36)21-7-5-6-19(16-21)20-8-13-26-25(17-20)28-24(27(18-35)33(26)3)14-15-34(28)30(37)31-22-9-11-23(38-4)12-10-22/h5-13,16-17,24,27-28,35H,14-15,18H2,1-4H3,(H,31,37)/t24-,27-,28-/m1/s1
InChIKey SYBCXYDZMLYAOB-RYRVMRHHSA-N
SMILES CN1[C@@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NC5=CC=C(C=C5)OC)CO
ChEBI Ontology
Outgoing (3aS,4S,9bR)-8-[3-[dimethylamino(oxo)methyl]phenyl]-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:130998) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-42546 LINCS
View more database links