ChemFOnt: Showing chemical card for L-alpha-Acetyl-N,N-dinormethadol (CFc000233393)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:03:23 UTC

Chemfont ID

CFc000233393

Molecule Identification

Common Name

L-alpha-Acetyl-N,N-dinormethadol

Definition

dinor-Levomethadyl acetate belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. In humans, dinor-levomethadyl acetate is involved in the levomethadyl acetate metabolism pathway. dinor-Levomethadyl acetate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on dinor-Levomethadyl acetate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Dinor-levomethadyl acetic acid	Generator
1 alpha-Acetyldinormethadol maleate, (r,r)-(+-)-isomer	MeSH, HMDB
1 alpha-Acetyldinormethadol maleate, (S-(r,r))-isomer	MeSH, HMDB
1 alpha-Acetyldinormethadol maleate	MeSH, HMDB
1 alpha-Acetyldinormethadol, (R-(r,r))-isomer	MeSH, HMDB
DNLAAM	MeSH, HMDB
1 alpha-Acetyldinormethadol	MeSH, HMDB
1 alpha-Acetyldinormethadol, (-)-(S-(r,r))-isomer	MeSH, HMDB
Dinor-laam	MeSH, HMDB
DinorLAAM	MeSH, HMDB
1 alpha-Acetyldinormethadol, hydrochloride, (S-(r,r))-isomer	MeSH, HMDB
L-alpha-Dinoracetylmethadol	MeSH, HMDB

Chemical Formula

C₂₁H₂₇NO₂

Average Molecular Weight

325.4446

Monoisotopic Molecular Weight

325.204179113

IUPAC Name

6-amino-4,4-diphenylheptan-3-yl acetate

Traditional Name

6-amino-4,4-diphenylheptan-3-yl acetate

CAS Registry Number

Not Available

SMILES

CCC(OC(C)=O)C(CC(C)N)(C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3

InChI Key

FYQILXMAOLDNOY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Aralkylamine
Amino acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.0015 g/L	ALOGPS
logP	4.7	ALOGPS
logP	4.07	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Basic)	10.24	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	52.32 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	107.79 m³·mol⁻¹	ChemAxon
Polarizability	37.15 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0253867

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

148974

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

170384

PDB ID

Not Available

ChEBI ID

174364

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-alpha-Acetyl-N,N-dinormethadol (CFc000233393)

MOL for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

3D MOL for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

3D SDF for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

3D-SDF for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

PDB for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

3D PDB for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

SMILES for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

INCHI for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

Structure for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)

3D Structure for CFc000233393 (L-alpha-Acetyl-N,N-dinormethadol)