ChemFOnt: Showing chemical card for 9-Oxo-10-acridineacetic acid (CFc000227148)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:51:58 UTC

Chemfont ID

CFc000227148

Molecule Identification

Common Name

9-Oxo-10-acridineacetic acid

Definition

9-Oxo-10-acridineacetic acid, also known as cridanimod or 10-carboxymethyl-9-acridanone, belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Based on a literature review very few articles have been published on 9-Oxo-10-acridineacetic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
9-oxo-10-Acridineacetate	Generator
10-Carboxymethyl-9-acridanone	HMDB
10-Carboxymethyl-9-acridanone, sodium salt	HMDB
Acridone N-methyl-N-(alpha,D-glucopyranosyl)ammonium 10-methylenecarboxylate	HMDB
Cridanimod	HMDB
Cridanimod sodium	HMDB
Cycloferon	HMDB
Meglumine acridone acetate	HMDB

Chemical Formula

C₁₅H₁₂N₂O₂

Average Molecular Weight

252.273

Monoisotopic Molecular Weight

252.089877634

IUPAC Name

2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide

Traditional Name

2-(9-oxoacridin-10-yl)acetamide

CAS Registry Number

Not Available

SMILES

NC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12

InChI Identifier

InChI=1S/C15H12N2O2/c16-14(18)9-17-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,18)

InChI Key

CEJPYXDXMICXLJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Benzoquinolines

Direct Parent

Acridones

Alternative Parents

Substituents

Acridone
Dihydroquinolone
Dihydroquinoline
Pyridine
Benzenoid
Heteroaromatic compound
Vinylogous amide
Primary carboxylic acid amide
Carboxamide group
Azacycle
Carboxylic acid derivative
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	0.17 g/L	ALOGPS
logP	1.69	ALOGPS
logP	1.79	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	15.33	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.4 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	71.87 m³·mol⁻¹	ChemAxon
Polarizability	25.92 Å³	ChemAxon
Number of Rings	3	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

HMDB0247612

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

48526

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53744

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 9-Oxo-10-acridineacetic acid (CFc000227148)

MOL for CFc000227148 (9-Oxo-10-acridineacetic acid)

3D MOL for CFc000227148 (9-Oxo-10-acridineacetic acid)

3D SDF for CFc000227148 (9-Oxo-10-acridineacetic acid)

3D-SDF for CFc000227148 (9-Oxo-10-acridineacetic acid)

PDB for CFc000227148 (9-Oxo-10-acridineacetic acid)

3D PDB for CFc000227148 (9-Oxo-10-acridineacetic acid)

SMILES for CFc000227148 (9-Oxo-10-acridineacetic acid)

INCHI for CFc000227148 (9-Oxo-10-acridineacetic acid)

Structure for CFc000227148 (9-Oxo-10-acridineacetic acid)

3D Structure for CFc000227148 (9-Oxo-10-acridineacetic acid)