Valsartan
fo-11d8b2a69f185281
Identity
- Type
- NeutralMolecule
- CAS
- 137862-53-4
- EC
- 604-045-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
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
18- (2s)-3-methyl-2-(n-{[2'-(1h-1,2,3,4-tetrazol-5-yl)-[1,1-biphenyl]-4-yl]methyl}pentanamido)butanoic Acid
- (2S)-3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
- (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine
- Cardopan
- Diovan
- L-Valine, N-(1-oxopentyl)-N-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
- L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
- N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine
- N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine
- N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine
- N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine
- Nisis
- Tareg
- Valsacor
- Valsarect
- Valsartanin
- Valtensin
- Vazar
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ACWBQPMHZXGDFX-QFIPXVFZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C |
| IUPAC name chemrof:IUPAC_name | (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine |
| Molecular formula chemrof:molecular_formula | C24H29N5O3 |
| Molecular mass chemrof:molecular_mass | 435.528 |
| Monoisotopic mass chemrof:monoisotopic_mass | 435.22704 |
| SMILES string chemrof:smiles_string | CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)O)C(C)C |
Known URLs
30Where 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=137862-53-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9927 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.113.097 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.223.781 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6023735 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00177 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00177 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2806 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2806 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758927 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1069 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/80M03YXJ7I | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014323 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J550.722G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00400 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D00400 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-2993 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42585 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47781 | enrich_references.pubchem_identifier_url |
| patent | patent:EP443983 | enrich_references.chebi_xrefs |
| patent | patent:US5399578 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA451848 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/YFG7PFZLBM2W | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1069 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/60846 | enrich_references.pubchem_compound |
| reaxys | reaxys:7754038 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/69749 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q155472 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q72498885 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Valsartan | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 096a6ee3-a03a-4dd1-94f3-ff9393f9f966 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0e46cc40-7f86-4cd1-927f-2a15f273b2ee | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b3a3101c-325b-47fe-b611-9aed715f729e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ed88a1c5-e07e-435d-99d2-d94a27ba46ed | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e1c34bfb-cd78-455f-80bd-2f909e09d00c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| cce67ebc-e47e-4fca-9069-3e577c0e317f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 9c73f584-2079-4d75-99e7-4a0aa36c28ca | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 154d4283-91b3-4de1-9ca3-dad18bcac417 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 209df81c-c027-4fc8-b41e-a2e8f538c0b7 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 2d9776ab-3704-411e-b4ac-bd5c288b0af2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 20137805-2cc1-4dcb-bf6b-6fa4a8f02db2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e499ed0e-9678-4602-9ce0-e3cbdbf18fbb | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dc61d24f-62cd-46ca-8ad9-0fe69b2c53e4 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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{
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{
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{
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{
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{
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