ChemFOnt: Showing chemical card for L-alpha-Acetyl-N-normethadol (CFc000239216)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:14:06 UTC

Chemfont ID

CFc000239216

Molecule Identification

Common Name

L-alpha-Acetyl-N-normethadol

Definition

nor-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, nor-levomethadyl acetate is involved in the levomethadyl acetate metabolism pathway. nor-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 nor-Levomethadyl acetate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Nor-levomethadyl acetic acid	Generator
1 alpha-Acetylnormethadol	MeSH, HMDB
N-Desmethyl-1-alpha-acetylmethadol	MeSH, HMDB
NLAAM	MeSH, HMDB
L-alpha-Noracetylmethadol	MeSH, HMDB
Paracymethadol hydrochloride	MeSH, HMDB
6-(methylamino)-4,4-Diphenyl-3-heptanol acetate	MeSH, HMDB
Nor-laam	MeSH, HMDB
Noracetylmethadol	MeSH, HMDB
Paracymethadol	MeSH, HMDB
Paracymethadol hydrochloride, (S-(r,r))-isomer	MeSH, HMDB
Paracymethadol, (R-(r,r))-isomer	MeSH, HMDB
Paracymethadol, (S-(r,r))-(-)-isomer	MeSH, HMDB
Paracymethadol hydrochloride, (r,r)-(+-)-isomer	MeSH, HMDB
Paracymethadol, (r,r)-(+-)-isomer	MeSH, HMDB

Chemical Formula

C₂₂H₂₉NO₂

Average Molecular Weight

339.4712

Monoisotopic Molecular Weight

339.219829177

IUPAC Name

6-(methylamino)-4,4-diphenylheptan-3-yl acetate

Traditional Name

6-(methylamino)-4,4-diphenylheptan-3-yl acetate

CAS Registry Number

43033-71-2

SMILES

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

InChI Identifier

InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3

InChI Key

VWCUGCYZZGRKEE-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
Secondary aliphatic amine
Secondary amine
Monocarboxylic acid or derivatives
Amine
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
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	0.00071 g/L	ALOGPS
logP	4.85	ALOGPS
logP	4.5	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Basic)	10.34	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.33 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	112.56 m³·mol⁻¹	ChemAxon
Polarizability	38.83 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0259699

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

14400

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15129

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-alpha-Acetyl-N-normethadol (CFc000239216)

MOL for CFc000239216 (L-alpha-Acetyl-N-normethadol)

3D MOL for CFc000239216 (L-alpha-Acetyl-N-normethadol)

3D SDF for CFc000239216 (L-alpha-Acetyl-N-normethadol)

3D-SDF for CFc000239216 (L-alpha-Acetyl-N-normethadol)

PDB for CFc000239216 (L-alpha-Acetyl-N-normethadol)

3D PDB for CFc000239216 (L-alpha-Acetyl-N-normethadol)

SMILES for CFc000239216 (L-alpha-Acetyl-N-normethadol)

INCHI for CFc000239216 (L-alpha-Acetyl-N-normethadol)

Structure for CFc000239216 (L-alpha-Acetyl-N-normethadol)

3D Structure for CFc000239216 (L-alpha-Acetyl-N-normethadol)