(2r,3r,4s,5r)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CED0068434)

Record Information

Version

1.0

Creation Date

2026-08-17 23:12:16 UTC

Update Date

2026-08-17 23:12:16 UTC

Accession Number

CHEM144580

Identification

Common Name

(2r,3r,4s,5r)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Class

Small Molecule

Description

(2r,3r,4s,5r)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C10H12ClN5O4 and an average molecular weight of 301.69 g/mol. It has been found in or released from three recorded sources. These sources include food preservation within the food, food processing and cookware sector, as well as electrical and electronic equipment, specifically fixed capacitors and their manufacture, and cores, yokes, or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂ClN₅O₄

Average Molecular Mass

301.690 g/mol

Monoisotopic Mass

301.058 g/mol

CAS Registry Number

146-77-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

InChI Key

BIXYYZIIJIXVFW-UUOKFMHZSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
529.0	Log mg/kg	[300:940]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1.01204
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	0.856341
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	0.311397
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	0.467095
Click to view 3D structure	Endoplasmin	P14625	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	1.71268
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	4.5931
Click to view 3D structure	cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	13.5458
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Adenosine receptor A2a	P46616	Cavia porcellus	Predicted (SEA)	0.778492
Click to view 3D structure	Adenosine deaminase	P56658	Bos taurus	Predicted (SEA)	0.467095
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	4.9045
Click to view 3D structure	Adenosine receptor A3	Q61618	Mus musculus	Predicted (SEA)	5.83869
Click to view 3D structure	Adenosine receptor A1	Q60612	Mus musculus	Predicted (SEA)	4.98235
Click to view 3D structure	CD99 antigen	P14209	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Serine--tRNA ligase	P95689	Staphylococcus aureus (strain NCTC 8325 / PS 47)	Predicted (SEA)	0.544945
Click to view 3D structure	P2Y purinoceptor 1	P49651	Rattus norvegicus	Predicted (SEA)	1.86838
Click to view 3D structure	NAD kinase	Q5HH78	Staphylococcus aureus (strain COL)	Predicted (SEA)	0.856341
Click to view 3D structure	NAD kinase 1	Q8Y8D7	Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)	Predicted (SEA)	0.856341
Click to view 3D structure	Adenosine kinase	P55263	Humans	Predicted (SEA)	1.16774