Sevelamer (CED0005280)

Record Information

Version

1.0

Creation Date

2016-05-25 18:22:06 UTC

Update Date

2026-05-14 16:45:18 UTC

SynCED ID

CED0005280

Secondary Accession Numbers

CHEM022155

Identification

Common Name

Sevelamer

Class

Small Molecule

Description

Sevelamer belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C6H12ClNO and an average molecular weight of 149.62 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically unclassified therapeutic products. Recorded exposure routes for sevelamer include oral and parenteral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Renagel	Kegg
Sevelamer hydrochloride	MeSH
Hydrochloride, sevelamer	MeSH
Sevelamer carbonate	MeSH
Carbonate, sevelamer	MeSH

Chemical Formula

C₆H₁₂ClNO

Average Molecular Mass

149.619 g/mol

Monoisotopic Mass

149.061 g/mol

CAS Registry Number

152751-57-0

IUPAC Name

2-(chloromethyl)oxirane; prop-2-en-1-amine

Traditional Name

allylamine; epichlorohydrin

SMILES

NCC=C.ClCC1CO1

InChI Identifier

InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2

InChI Key

ZNSIZMQNQCNRBW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Epoxides

Sub Class

Not Available

Direct Parent

Epoxides

Alternative Parents

Substituents

Dialkyl ether
Oxirane
Ether
Oxacycle
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Primary aliphatic amine
Alkyl halide
Alkyl chloride
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

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

Property	Value	Source
logP	0.68	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	12.53 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	20.06 m³·mol⁻¹	ChemAxon
Polarizability	8.38 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-deb9ebe34976fcc90a09	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-deb9ebe34976fcc90a09	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-deb9ebe34976fcc90a09	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-eacef425604b9721f92f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-eacef425604b9721f92f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-eacef425604b9721f92f	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
122.0 Log mg/kg [70:220]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000409	Unclassified therapeutic products?Unclassified therapeutic products encompass a range of substances used in medical and veterinary contexts that have not undergone formal classification processes.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	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
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.213 Low confidence Statistical Significance 0.9285 Supporting Reference Compounds 823 E-value 7228.61
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.213 Low confidence Statistical Significance 0.9589 Supporting Reference Compounds 955 E-value 7464.88
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.213 Low confidence Statistical Significance 0.9697 Supporting Reference Compounds 686 E-value 7548.81
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.213 Low confidence Statistical Significance 0.9765 Supporting Reference Compounds 953 E-value 7602.37
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.161 Low confidence Statistical Significance 0.4478 Supporting Reference Compounds 40 E-value 3485.78
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.185 Low confidence Statistical Significance 0.9811 Supporting Reference Compounds 506 E-value 7638.1
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.213 Low confidence Statistical Significance 0.9847 Supporting Reference Compounds 861 E-value 7665.89
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q8K5E0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.161 Low confidence Statistical Significance 0.0078 Supporting Reference Compounds 4 E-value 60.7224
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.213 Low confidence Statistical Significance 0.9885 Supporting Reference Compounds 593 E-value 7695.71
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.213 Low confidence Statistical Significance 0.9883 Supporting Reference Compounds 487 E-value 7693.53
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.213 Low confidence Statistical Significance 0.9801 Supporting Reference Compounds 340 E-value 7630.0
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.213 Low confidence Statistical Significance 0.9839 Supporting Reference Compounds 386 E-value 7659.35
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.213 Low confidence Statistical Significance 0.9964 Supporting Reference Compounds 1498 E-value 7757.13
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.213 Low confidence Statistical Significance 0.9938 Supporting Reference Compounds 1103 E-value 7736.42
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.222 Low confidence Statistical Significance 0.9906 Supporting Reference Compounds 373 E-value 7711.82
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.213 Low confidence Statistical Significance 0.9902 Supporting Reference Compounds 565 E-value 7708.4
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.222 Low confidence Statistical Significance 0.9877 Supporting Reference Compounds 297 E-value 7689.32
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q9BQT8	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.213 Low confidence Statistical Significance 0.9893 Supporting Reference Compounds 524 E-value 7701.7
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.213 Low confidence Statistical Significance 0.9917 Supporting Reference Compounds 536 E-value 7720.0
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.9955 Supporting Reference Compounds 451 E-value 7749.58
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.161 Low confidence Statistical Significance 0.7617 Supporting Reference Compounds 30 E-value 5930.01
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.213 Low confidence Statistical Significance 0.9932 Supporting Reference Compounds 266 E-value 7731.75
Click to view 3D structure	Seed linoleate 9S-lipoxygenase	P24095	Glycine max	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 1 E-value 14.3243
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0085 Supporting Reference Compounds 1 E-value 66.5611