Metronidazole
fo-6fb03113f50a3a1e
Identity
- Type
- Neutral molecule
- CAS
- 443-48-1
- EC
- 207-136-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
82- 1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole
- 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole
- 1-(beta-ethylol)-2-methyl-5-nitro-3-azapyrrole
- 1-(beta-hydroxyethyl)-2-methyl-5-nitroimidazole
- 1-(beta-oxyethyl)-2-methyl-5-nitroimidazole
- 1-(β-Hydroxyethyl)-2-methyl-5-nitroimidazole
- 1-Hydroxyethyl-2-methyl-5-nitroimidazole
- 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol
- 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol
- 2-methyl-1-(2-hydroxyethyl)-5-nitroimidazole
- 2-methyl-3-(2-hydroxyethyl)-4-nitroimidazole
- 2-Methyl-5-nitro-1H-imidazole-1-ethanol
- 2-methyl-5-nitroimidazole-1-ethanol
- Amrizole
- Anagiardil
- Arilin
- Cimetrol 500LPCI
- Clont
- Compeba
- Deflamon
- Dentamet gel
- Efloran
- Elyzol
- Emgyl
- Emtrin
- Entizol
- Flagesol
- Flagil
- Flagyl
- Flazol
- Fossyol
- Gineflavir
- Imidazole-1-ethanol, 2-methyl-5-nitro-
- Klion
- Klont
- Loxagyl
- Medazol
- MeSH ID: D008795
- Metro
- Metro Cream & Gel
- Metrodine
- Metrodol
- MetroGel
- Metrogyl
- Metrolag
- Metrolyl
- metronidazol
- metronidazolum
- Metropol
- Metrotab
- Metrotop
- metrovagin
- Mexibol
- Nidazole
- Noritate
- Orvagil
- Polibiotic
- Protostat
- Rathimed
- Rosiced
- Sanatrichom
- Satric
- Supplin
- Takimetol
- Trichazol
- Tricho Cordes
- Tricho-Gynaedron
- Trichobrol
- Trichocide
- Trichomol
- Trichopal
- Trichopol
- Trichopole
- Trichozole
- Tricocet
- Trikhopol
- Trivazol
- Tromet
- Vagilen
- Vagimid
- Zadstat
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole |
| Molecular formula chemrof:molecular_formula | C6H9N3O3 |
| Molecular mass chemrof:molecular_mass | 171.156 |
| Monoisotopic mass chemrof:monoisotopic_mass | 171.06439, 171.064391 |
| SMILES string chemrof:smiles_string | Cc1ncc([N+](=O)[O-])n1CCO |
Known URLs
43Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=443-48-1 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=56010-45-8 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6909 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.006.489 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2020892 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00916 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00916 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1790 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1790 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50364 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=69587 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757118 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL137 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/140QMO216E | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015052 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.046J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00409 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07203 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00409 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5628 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43184 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C2192 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C651 | enrich_references.pubchem_identifier_url |
| patent | patent:US2944061 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:2MN | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450484 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL137 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4173 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007953 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11906111 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14702395 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15739364 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16304169 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16901452 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18397330 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19485831 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22226009 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22252819 | enrich_references.chebi_xrefs |
| reaxys | reaxys:611683 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6922 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:1826 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q169569 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Metronidazole | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0d7977ae-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-93bb-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| bbd5abe3-4aad-4592-87b1-78f58a2d0347 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-93ba-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-93bc-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ae4-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ae2-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-90de-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ae3-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-90dc-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-90df-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-93bd-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 214a92ad63b2b2812f37a36638441ccecf8bda77 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-90dd-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
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{
"@value": "Metronidazole",
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{
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{
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{
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},
{
"@value": "2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol",
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},
{
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{
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},
{
"@value": "2-methyl-3-(2-hydroxyethyl)-4-nitroimidazole",
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},
{
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},
{
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{
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},
{
"@value": "Anagiardil",
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}
},
{
"@value": "Arilin",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cimetrol 500LPCI",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Clont",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
},
{
"@value": "Compeba",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Deflamon",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dentamet gel",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Efloran",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=443-48-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Elyzol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:443-48-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=443-48-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Emgyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:443-48-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=443-48-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Emtrin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Entizol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Flagesol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works