(2r,3r,4r,5r)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol (CED0096484)

Record Information

Version

1.0

Creation Date

2026-08-18 03:12:01 UTC

Update Date

2026-08-18 03:12:01 UTC

SynCED ID

CED0096484

Secondary Accession Numbers

CHEM149802

Identification

Common Name

(2r,3r,4r,5r)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol

Class

Small Molecule

Description

(2r,3r,4r,5r)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C10H22Cl2N2O4 and an average molecular weight of 305.20 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Line Transmission Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₂₂Cl₂N₂O₄

Average Molecular Mass

305.200 g/mol

Monoisotopic Mass

304.096 g/mol

CAS Registry Number

576-68-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H22Cl2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2/t7-,8-,9-,10-/m1/s1

InChI Key

MQXVYODZCMMZEM-ZYUZMQFOSA-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1015.0 Log mg/kg [570:1800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 5.90e-04 Supporting Reference Compounds 1 E-value 4.5931
Click to view 3D structure	Farnesyl synthetase, putative	Q964Q8	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.216 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 2 E-value 46.7874
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 5.90e-04 Supporting Reference Compounds 1 E-value 4.5931
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.217 Low confidence Statistical Significance 0.6959 Supporting Reference Compounds 201 E-value 5417.6
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 14.5578
Click to view 3D structure	Glucose-6-phosphate isomerase	Q9N1E2	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.03051
Click to view 3D structure	GABA transporter 4	P31650	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.217 Low confidence Statistical Significance 0.1798 Supporting Reference Compounds 21 E-value 1400.12
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.217 Low confidence Statistical Significance 0.8636 Supporting Reference Compounds 234 E-value 6723.45
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.184 Low confidence Statistical Significance 0.3274 Supporting Reference Compounds 48 E-value 2548.86
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.192 Low confidence Statistical Significance 0.848 Supporting Reference Compounds 145 E-value 6602.0
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.179 Low confidence Statistical Significance 6.10e-04 Supporting Reference Compounds 2 E-value 4.7488
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.184 Low confidence Statistical Significance 0.2672 Supporting Reference Compounds 37 E-value 2079.98
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.167 Low confidence Statistical Significance 0.9423 Supporting Reference Compounds 258 E-value 7335.73
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.167 Low confidence Statistical Significance 0.9183 Supporting Reference Compounds 180 E-value 7148.82
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.171 Low confidence Statistical Significance 0.0709 Supporting Reference Compounds 16 E-value 552.185
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 17.3604
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.164 Low confidence Statistical Significance 0.9825 Supporting Reference Compounds 506 E-value 7648.61
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.164 Low confidence Statistical Significance 0.9805 Supporting Reference Compounds 451 E-value 7633.04
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.163 Low confidence Statistical Significance 0.9857 Supporting Reference Compounds 593 E-value 7673.36
Click to view 3D structure	Beta-1 adrenergic receptor	P34971	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.167 Low confidence Statistical Significance 0.1892 Supporting Reference Compounds 13 E-value 1472.6
Click to view 3D structure	Farnesyl diphosphate synthase	Q197X6	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.216 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 4 E-value 62.9022
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.171 Low confidence Statistical Significance 0.5877 Supporting Reference Compounds 43 E-value 4575.28
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.155 Low confidence Statistical Significance 0.99 Supporting Reference Compounds 1103 E-value 7707.38
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.164 Low confidence Statistical Significance 0.9956 Supporting Reference Compounds 1130 E-value 7750.59
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.167 Low confidence Statistical Significance 0.9783 Supporting Reference Compounds 541 E-value 7615.99