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CHEBI:234424 - 1-AmidoDihydroMorHap

ChEBI IDCHEBI:234424
ChEBI Name1-AmidoDihydroMorHap
Stars
DefinitionA morphinane alkaloid that is 1-AmidoMorHap in which the double bond between positions 7 and 8 has been hydrogenated.
Last Modified5 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC41H43N3O4S
Net Charge0
Average Mass673.879
Monoisotopic Mass673.29743
SMILES[H][C@@]12CC[C@H](NC(C)=O)[C@@H]3Oc4c(O)cc(NC(=O)CCSC(c5ccccc5)(c5ccccc5)c5ccccc5)c5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C41H43N3O4S/c1-26(45)42-32-19-18-31-34-24-30-33(25-35(46)38-37(30)40(31,39(32)48-38)21-22-44(34)2)43-36(47)20-23-49-41(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,25,31-32,34,39,46H,18-24H2,1-2H3,(H,42,45)(H,43,47)/t31-,32-,34+,39-,40-/m0/s1
InChIKeyIEDKGZIGJXZAQC-DESUNDFASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-AmidoDihydroMorHap (CHEBI:234424) has functional parent 1-AmidoMorHap (CHEBI:234422)
1-AmidoDihydroMorHap (CHEBI:234424) has role hapten (CHEBI:59174)
1-AmidoDihydroMorHap (CHEBI:234424) is a acetamides (CHEBI:22160)
1-AmidoDihydroMorHap (CHEBI:234424) is a benzenes (CHEBI:22712)
1-AmidoDihydroMorHap (CHEBI:234424) is a morphinane alkaloid (CHEBI:25418)
1-AmidoDihydroMorHap (CHEBI:234424) is a organic heteropentacyclic compound (CHEBI:38164)
1-AmidoDihydroMorHap (CHEBI:234424) is a organic sulfide (CHEBI:16385)
1-AmidoDihydroMorHap (CHEBI:234424) is a secondary carboxamide (CHEBI:140325)
1-AmidoDihydroMorHap (CHEBI:234424) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(6α-acetamido-3-hydroxy-17-methyl-5α-4,5-epoxymorphinan-1-yl)-3-[(triphenylmethyl)sulfanyl]propanamide
Synonyms  Source
N-((7S,7aR)-7-acetamido-9-hydroxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-11-yl)-3-(tritylthio)propanamideChEBI
N-((4R,4aR,7S,7aR,12bS)-7-acetamido-9-hydroxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-11-yl)-3-(tritylthio)propanamideChEBI
Citations