(6-Amino-4,4-diphenylheptan-3-yl) acetate
Basic information
- CAS
40488-01-5- Standard SMILES
CCC(OC(C)=O)C(CC(C)N)(c1ccccc1)c1ccccc1- InChIKey
FYQILXMAOLDNOY-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Overview
Dinor-Levomethadyl acetate is a diarylmethane.
Names & identifiers
- Preferred name
- (6-Amino-4,4-diphenylheptan-3-yl) acetate
- IUPAC
- (6-amino-4,4-diphenylheptan-3-yl) acetate
- English name
- 1 alpha-acetyldinormethadol
- Molecular formula
- C21H27NO2
- Molecular weight
- 325.44458
Names & synonyms
1 Alpha-acetyldinormethadol40488-01-5(6-amino-4,4-diphenylheptan-3-yl) acetatedinor-Levomethadyl acetateDnlaam1alpha-Acetyldinormethadoll-alpha-Dinoracetylmethadol6-AMINO-4,4-DIPHENYLHEPTAN-3-YL ACETATEDTXSID10960863.alpha.-Acetyl-N,N-dinormethadolCHEBI:174364FYQILXMAOLDNOY-UHFFFAOYSA-N
Show more names
Benzeneethanol, β-(2-aminopropyl)-α-ethyl-β-phenyl-, 1-acetate
NS001161184-Amino-1-ethyl-2,2-diphenylpentyl acetate #beta-(2-Aminopropyl)-alpha-ethyl-beta-phenylbenzeneethanol, acetate (ester)Benzeneethanol, beta-(2-aminopropyl)-alpha-ethyl-beta-phenyl-, acetate (ester)
Database identifiers
- CAS
40488-01-5- PubChem CID
- 170384
- DTXSID
DTXSID10960863- ChEBI
CHEBI:174364- Nikkaji
- J915.919C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 454.7 · 454.7±45.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.48(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Amino-1-ethyl-2,2-diphenylpentyl acetate is a known human metabolite of [(3R,6R)-6-(methylamino)-4,4-diphenylheptan-3-yl] acetate.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysLevomethadyl Acetate Metabolism Pathway
Additional notes
DefinitionChEBI: Dinor-Levomethadyl acetate is a diarylmethane.
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