Trimethoprim/sulfamethoxazole (CED0001277)

Record Information

Version

1.0

Creation Date

2026-04-05 15:56:22 UTC

Update Date

2026-04-05 15:56:22 UTC

Accession Number

CHEM104412

Identification

Common Name

Trimethoprim/sulfamethoxazole

Class

Small Molecule

Description

Trimethoprim/sulfamethoxazole (C24H29N7O6S) is a chemical compound utilized as a treatment for pneumonia (PMC1492602). Trimethoprim/sulfamethoxazole belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 543.60 g/mol, Trimethoprim/sulfamethoxazole is a heavy molecule. The compound is associated with six recorded sources of release or occurrence. These include electrical and electronic equipment, specifically radio transmission systems, antennas, and gas filled discharge tubes with solid cathode. It is also found in food, food processing, and cookware, specifically in the processing of meats. Additionally, it is associated with household cleaning and consumer products, including pipe accessories and other smoking requisites.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₂₉N₇O₆S

Average Molecular Mass

543.600 g/mol

Monoisotopic Mass

543.190 g/mol

CAS Registry Number

8064-90-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1.COC1=CC(CC2=C(N)N=C(N)N=C2)=CC(OC)=C1OC

InChI Identifier

InChI=1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)

InChI Key

WZRJTRPJURQBRM-UHFFFAOYSA-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
1330.0	Log mg/kg	[750:2400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference
pneumonia	is_treatment_for	Not Available	PMC1492602
meningitis	is_treatment_for	Not Available	PMC11322121
melioidosis	is_treatment_for	Not Available	PMC7252284

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
594	Ship Hulls	Marine, shipping & aquaculture	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	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	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	4.67095
Click to view 3D structure	Dihydrofolate reductase	Q59487	Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcuslactis)	Predicted (SEA)	1.79053
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	10.2761
Click to view 3D structure	Dihydrofolate reductase	P0A017	Staphylococcus aureus	Predicted (SEA)	2.72472
Click to view 3D structure	Dihydrofolate reductase	P00381	Lactobacillus casei	Predicted (SEA)	7.47353
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q27713	Plasmodium berghei str. ANKA	Predicted (SEA)	2.41333
Click to view 3D structure	Dihydrofolate reductase	P04174	Neisseria gonorrhoeae	Predicted (SEA)	2.33548
Click to view 3D structure	Dihydrofolate reductase	Q8Z9J9	Salmonella enterica subsp. enterica serovar Typhi	Predicted (SEA)	2.56902
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	P13922	Plasmodium falciparum (isolate K1 / Thailand)	Predicted (SEA)	3.26967
Click to view 3D structure	Dihydrofolate reductase	P16184	Pneumocystis carinii	Predicted (SEA)	7.23998
Click to view 3D structure	Dihydrofolate reductase type 1	P00382	Escherichia coli	Predicted (SEA)	2.41333
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	11.6774
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	11.9888
Click to view 3D structure	Dihydrofolate reductase	O30463	Mycobacterium avium	Predicted (SEA)	4.98235
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	2.56902
Click to view 3D structure	Dihydrofolate reductase	P00378	Gallus gallus	Predicted (SEA)	4.67095
Click to view 3D structure	Dihydrofolate reductase	P22906	Yeast	Predicted (SEA)	4.35956
Click to view 3D structure	Dihydrofolate reductase	Q81R22	Bacillus anthracis	Predicted (SEA)	2.64687
Click to view 3D structure	ATP-dependent 6-phosphofructokinase	Q4E657	Trypanosoma cruzi	Predicted (SEA)	0.778492
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	P07382	Leishmania major	Predicted (SEA)	5.83869
Click to view 3D structure	Extracellular serine/threonine protein kinase FAM20C	Q8IXL6	Humans	Predicted (SEA)	4.51525
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q27552	Cryptosporidium parvum	Predicted (SEA)	3.26967
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	402.948
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	466.862
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	466.55