CHEBI:110503 - 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:110503
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H30N2O5
Net Charge 0
Average Mass 426.506
Monoisotopic Mass 426.21547
InChI InChI=1S/C24H30N2O5/c1-26(2)16-6-9-21-19(10-16)20-11-18(30-22(14-27)24(20)31-21)12-23(28)25-13-15-4-7-17(29-3)8-5-15/h4-10,18,20,22,24,27H,11-14H2,1-3H3,(H,25,28)/t18-,20-,22+,24+/m1/s1
InChIKey FHQWFYFYGUWLTN-NROSNUSPSA-N
SMILES CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110503) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-21950 LINCS
View more database links