Record Information
Version1.0
Creation Date2026-04-03 04:07:07 UTC
Update Date2026-04-03 04:07:07 UTC
Accession NumberCHEM061140
Identification
Common NameATM4 4-acetoxy analog
ClassSmall Molecule
DescriptionATM4 4-acetoxy analog belongs to the 6,6a-secoaporphines, a class of alkaloids and derivatives within the organic compounds. This compound has the chemical formula C23H25N1O5.
Contaminant SourcesNot Available
Contaminant TypeNot Available
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaC23H25N1O5
Average Molecular MassNot Available
Monoisotopic Mass395.173 g/mol
CAS Registry Number91295-74-8
IUPAC Name[8-[2-[acetyl(methyl)amino]ethyl]-3,6-dimethoxyphenanthren-4-yl] acetate
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C23H25NO5/c1-14(25)24(3)11-10-17-12-18(27-4)13-20-19(17)8-6-16-7-9-21(28-5)23(22(16)20)29-15(2)26/h6-9,12-13H,10-11H2,1-5H3
InChI KeyIQCNMUAWZXTDNZ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 6,6a-secoaporphines. These are alkaloids with a structure that contains an aminoethylphenanthrene moiety.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
Class6,6a-secoaporphines
Sub ClassNot Available
Direct Parent6,6a-secoaporphines
Alternative Parents
Substituents
  • 6,6a-secoaporphine
  • Phenanthrene
  • Naphthalene
  • Anisole
  • Alkyl aryl ether
  • Benzenoid
  • Acetamide
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Organic nitrogen compound
  • Organopnictogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID23258168
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available