Tazobactam
fo-4fca4f460ce8edaf
Identity
- Type
- NeutralMolecule
- CAS
- 89786-04-9
- EC
- 618-303-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
8- (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2s,3s,5r)-3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4,4-dioxide/n
- (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
- 1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, [2S-(2α,3β,5α)]-
- CL 298741
- tazobactamum
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LPQZKKCYTLCDGQ-WEDXCCLWSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O |
| IUPAC name chemrof:IUPAC_name | (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular formula chemrof:molecular_formula | C10H12N4O5S |
| Molecular mass chemrof:molecular_mass | 300.296 |
| Monoisotopic mass chemrof:monoisotopic_mass | 300.05284 |
| SMILES string chemrof:smiles_string | CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O |
Known URLs
33Where 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=89786-04-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9421 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.108.321 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8023634 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01606 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01606 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2572 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2572 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL404 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SE10G96M8W | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015544 | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07771 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00660 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07771 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00660 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5323 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43592 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C62079 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:TAZ | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164764504 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL404 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/123630 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=010826 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25098503 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25512410 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25529765 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25609660 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25662788 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25670823 | enrich_references.chebi_xrefs |
| reaxys | reaxys:4787944 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/37617 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q423376 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Tazobactam | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a57ab1e5-769e-45a0-a8d1-d556cd15a308 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5062fe1f-46e4-4795-a16b-04cc60e7d6c9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 94796c75-e1e1-4711-9713-849131a94a84 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b64e441b-ef74-4a16-853b-1ae80da5cdec | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 27a0dd5e-1742-459e-a1a3-6a298e5e43e2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2bd99301-d56d-4ba0-ba15-7a6485ed85d8 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7fd2315f-4a51-42d6-b07d-c56fd37d1f18 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 88257ac1-077e-485e-86c0-4d8a92d43677 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 45e143e4-10b0-4628-941e-02622e70ab06 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d0ef9084-fafe-4cae-8ab6-0b175fbe08d6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 530187b4-4327-40a7-b75a-caec6e7ccadc | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c9a2ce5d-b651-42b4-b058-39a05f7eeb23 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4b99300a-03b2-44e3-a28d-097634e8c8a5 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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