Title: Trimethoprim | C14H18N4O3 - PubChem
Headings: Trimethoprim
Trimethoprim
Contents
1 Structures
1.1 2D Structure
1.2 3D Conformer
1.3 Crystal Structures
2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name
2.1.2 InChI
2.1.3 InChI Key
2.1.4 Canonical SMILES
2.2 Molecular Formula
2.3 Other Identifiers
2.3.1 CAS
2.3.2 European Community (EC) Number
212-006-2
2.3.3 NSC Number
757370
752719
106568
2.3.4 UN Number
2811
2.3.5 UNII
2.3.6 DSSTox Substance ID
DTXSID3023712
2.3.7 Wikipedia
Trimethoprim
2.4 Synonyms
2.4.1 MeSH Entry Terms
2.4.2 Depositor-Supplied Synonyms
3 Chemical and Physical Properties
3.1 Computed Properties
3.2 Experimental Properties
3.2.1 Physical Description
3.2.2 Color/Form
3.2.3 Odor
3.2.4 Taste
3.2.5 Melting Point
3.2.6 Solubility
3.2.7 LogP
3.2.8 LogS
3.2.9 Stability/Shelf Life
3.2.10 Decomposition
3.2.11 pKa
3.2.12 Dissociation Constants
3.2.13 Collision Cross Section
3.2.14 Kovats Retention Index
4 Spectral Information
4.1 1D NMR Spectra
4.1.1 13C NMR Spectra
4.1.2 15N NMR Spectra
4.2 Mass Spectrometry
4.2.1 GC-MS
4.2.2 MS-MS
4.2.3 LC-MS
4.2.4 Other MS
4.3 UV Spectra
4.3.1 UV-VIS Spectra
4.4 IR Spectra
4.4.1 FTIR Spectra
4.4.2 ATR-IR Spectra
6 Chemical Vendors
7 Drug and Medication Information
7.1 Drug Indication
7.2 LiverTox Summary
7.3 Drug Classes
7.4 FDA Orange Book
7.5 Drug Labels for Ingredients
7.6 Clinical Trials
7.6.1 ClinicalTrials.gov
7.6.2 EU Clinical Trials Register
7.6.3 NIPH Clinical Trials Search of Japan
7.7 Therapeutic Uses
7.8 Drug Warnings
7.9 Drug Tolerance
8 Pharmacology and Biochemistry
8.1 Pharmacology
8.2 MeSH Pharmacological Classification
8.3 ATC Code
8.4 Absorption, Distribution and Excretion
8.5 Metabolism/Metabolites
8.6 Biological Half-Life
8.7 Mechanism of Action
8.8 Human Metabolite Information
8.8.1 Cellular Locations
9 Use and Manufacturing
9.1 Use Classification
9.2 Uses
EPA CPDat Chemical and Product Categories
9.3 Methods of Manufacturing
9.4 Formulations/Preparations
9.5 General Manufacturing Information
10 Identification
10.1 Analytic Laboratory Methods
10.2 Clinical Laboratory Methods
11 Safety and Hazards
11.1 Hazards Identification
11.1.1 GHS Classification
11.1.2 Hazard Classes and Categories
11.1.3 Health Hazards
11.1.4 Fire Hazards
11.2 First Aid Measures
11.2.1 First Aid
11.3 Fire Fighting
11.4 Accidental Release Measures
11.4.1 Isolation and Evacuation
11.4.2 Disposal Methods
11.5 Handling and Storage
11.5.1 Nonfire Spill Response
11.5.2 Storage Conditions
11.6 Exposure Control and Personal Protection
11.6.1 Personal Protective Equipment (PPE)
11.7 Stability and Reactivity
11.7.1 Air and Water Reactions
11.7.2 Reactive Group
11.7.3 Reactivity Profile
11.8 Transport Information
11.8.1 DOT Label
11.9 Regulatory Information
11.9.1 FDA Requirements
12 Toxicity
12.1 Toxicological Information
12.1.1 Hepatotoxicity
12.1.2 Drug Induced Liver Injury
12.1.3 Acute Effects
12.1.4 Interactions
12.1.5 Toxicity Summary
12.1.6 Antidote and Emergency Treatment
12.1.7 Human Toxicity Excerpts
12.1.8 Non-Human Toxicity Excerpts
12.1.9 Non-Human Toxicity Values
12.1.10 Protein Binding
12.2 Ecological Information
12.2.1 Environmental Fate/Exposure Summary
12.2.2 Artificial Pollution Sources
12.2.3 Environmental Fate
12.2.4 Environmental Biodegradation
12.2.5 Environmental Abiotic Degradation
12.2.6 Environmental Bioconcentration
12.2.7 Soil Adsorption/Mobility
12.2.8 Volatilization from Water/Soil
12.2.9 Environmental Water Concentrations
12.2.10 Effluent Concentrations
12.2.11 Milk Concentrations
12.2.12 Probable Routes of Human Exposure
12.2.13 Average Daily Intake
12.2.14 Body Burden
13 Associated Disorders and Diseases
14 Literature
14.1 Coronavirus Studies
14.2 NLM Curated PubMed Citations
14.3 Springer Nature References
14.4 Thieme References
14.5 Wiley References
14.6 Depositor Provided PubMed Citations
14.7 Synthesis References
14.8 Metabolite References
14.9 General References
14.10 Chemical Co-Occurrences in Literature
14.11 Chemical-Gene Co-Occurrences in Literature
14.12 Chemical-Disease Co-Occurrences in Literature
15 Patents
15.1 Depositor-Supplied Patent Identifiers
15.2 WIPO PATENTSCOPE
16 Biomolecular Interactions and Pathways
16.1 Protein Bound 3D Structures
16.1.1 Ligands from Protein Bound 3D Structures
16.2 Drug-Gene Interactions
16.3 Chemical-Gene Interactions
16.3.1 CTD Chemical-Gene Interactions
16.4 DrugBank Interactions
16.5 Drug-Drug Interactions
16.6 Pathways
17 Biological Test Results
17.1 BioAssay Results
18 Classification
18.1 Ontologies
18.1.1 MeSH Tree
18.1.2 ChEBI Ontology
18.1.3 KEGG: USP
18.1.4 KEGG: ATC
18.1.5 KEGG: Animal Drugs
18.1.6 KEGG: Drug Classes
18.1.7 KEGG : Antiinfectives
18.1.8 WHO ATC Classification System
18.1.9 FDA Pharm Classes
18.1.10 ChemIDplus
18.1.11 CAMEO Chemicals
18.1.12 ChEMBL Target Tree
18.1.13 UN GHS Classification
18.1.14 EPA CPDat Classification
18.1.15 NORMAN Suspect List Exchange Classification
18.1.16 CCSBase Classification
18.1.17 EPA DSSTox Classification
19 Information Sources

Content: CAS Common Chemistry; ChemIDplus; DrugBank; DTP/NCI; EPA DSSTox; European Chemicals Agency (ECHA); Hazardous Substances Data Bank (HSDB); Human Metabolome Database (HMDB)
2.3.2 European Community (EC) Number
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212-006-2
European Chemicals Agency (ECHA)
2.3.3 NSC Number
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757370
752719
106568
2.3.4 UN Number
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2811
CAMEO Chemicals
2.3.5 UNII
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AN164J8Y0X
FDA/SPL Indexing Data
2.3.6 DSSTox Substance ID
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DTXSID3023712
EPA DSSTox
2.3.7 Wikipedia
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Trimethoprim
2.4 Synonyms
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2.4.1 MeSH Entry Terms
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Proloprim
Trimethoprim
Trimpex
Medical Subject Headings (MeSH)
2.4.2 Depositor-Supplied Synonyms
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trimethoprim
738-70-5
Proloprim
Trimpex
Trimetoprim
Bactramin
Monotrim
Monotrimin
Trimopan
2,4-Diamino-5- (3,4,5-trimethoxybenzyl)pyrimidine
Monoprim
Syraprim
Trimanyl
Wellcoprim
Triprim
Uretrim
5- (3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
Trimethoprime
Trimethoprimum
NIH 204
Primsol
5- [ (3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
component of Bactrim
NSC-106568
BW 56-72
2,4-Pyrimidinediamine, 5- [ (3,4,5-trimethoxyphenyl)methyl]-
Polytrim
TCMDC-125538
5- (3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine
UNII-AN164J8Y0X
5- [ (3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
NSC 106568
5- (3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine
CHEBI:45924
CHEMBL22
Trimpex (TN)
Abaprim
MFCD00036761
Apo-Sulfatrim
BW 5672
BW-56-72
Pyrimidine, 2,4-diamino-5- (3,4,5-trimethoxybenzyl)-
MLS000079023
AN164J8Y0X
Briscotrim
Novotrimel
Streptoplus
Sulfoxaprim
Trimethioprim
Urobactrim
Wellcoprin
Anitrim
Antrima
Antrimox
Bacidal
Bacticel
Bactoprim
Bencole
Bethaprim
Biosulten
Chemotrin
Colizole
Conprim
Cotrimel
Duocide
Esbesul
Espectrin
Euctrim
Exbesul
Fermagex
Fortrim
Ikaprim
Kombinax
Lagatrim
Lastrim
Metoprim
Pancidim
Protrin
Resprim
Salvatrim
Setprin
Sinotrim
Sugaprim
Sulfamar
Sulthrim
Sultrex
Trimexol
Trimezol
Trimono
Trisulcom
Trisulfam
Trisural
Utetrin
Velaten
Xeroprim
Zamboprim
2,4-Pyrimidinediamine, 5- ( (3,4,5-trimethoxyphenyl)-methyl)-
2,4-Pyrimidinediamine, 5- ( (3,4,5-trimethoxyphenyl)methyl)-
Bacdan
Bacide
Deprim
Omstat
Purbal
Roubac
Roubal
Stopan
Toprim
Trisul
Bacin
Bacta
Futin
Trimpex 200
Co-Trimoxizole
Lagatrim Forte
Septrin Forte
Alcorim-F
Colizole DS
Septrin S
Septrin DS
Smz-Tmp
NSC106568
Trimez-IFSA
Trimethoprim, 98%
U-Prin
component of Septra
NCGC00016055-05
Trimethopriom
5- ( (3,4,5-Trimethoxyphenyl)methyl)-2,4-pyrimidinediamine
Bactifor
CAS-738-70-5
Dosulfin
Instalac
SMR000035999
Trimetoprim [DCIT]
Trimogal
Lescot
Tiempe
Trimetoprim [Polish]
Resprim Forte
Uro-D S
DSSTox_CID_3712
Tmp Smx
DSSTox_RID_77158
DSSTox_GSID_23712
5- (3,4,5-Trimethoxy-benzyl)-pyrimidine-2,4-diamine
Trimethoprime [INN-French]
Trimethoprimum [INN-Latin]
Trimetoprima [INN-Spanish]
2,4-Diamino-5- (3',4',5'-trimethoxybenzyl)pyrimidine
Bacterial [Antibiotic]
NIH 204 (VAN)
Proloprim (TN)
WR 5949
CCRIS 2410
HSDB 6781
SR-01000075652
EINECS 212-006-2
5- (3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine
BRN 0625127
Trimethoprim (JAN/USP/INN)
5- { [3,4,5-tris (methyloxy)phenyl]methyl}pyrimidine-2,4-diamine
AI3-52594
Trimethoprim-d9
B-Lock
KUC103659N
Trimethoprim, (S)
Prestwick_485
KSC-4-158
Trimethoprim (TMP)
Bactrim (Salt/Mix)
1189460-62-5
AZT + TMP/SMX (mixture) combination
Spectrum_000167
Tocris-0650
Trimethoprim [USAN: USP: INN: