Mepacrine
fo-05836833c2719443
Identity
- Type
- Neutral molecule
- CAS
- 83-89-6
- EC
- 201-508-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
21- (±)-Quinacrine
- 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-
- 2-methoxy-6-chloro-9-diethylaminopentylaminoacridine
- 3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine
- 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
- 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine
- 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine
- Acrichin
- Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-
- Acrinamine
- Acriquine
- Akrichin
- Antimalarina
- Atabrine
- Haffkinine
- Italchine
- MeSH ID: D011796
- N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine
- N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine
- N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
- Quinacrine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GPKJTRJOBQGKQK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) |
| IUPAC name chemrof:IUPAC_name | 3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine |
| Molecular formula chemrof:molecular_formula | C23H30ClN3O |
| Molecular mass chemrof:molecular_mass | 399.966 |
| Monoisotopic mass chemrof:monoisotopic_mass | 399.20774 |
| SMILES string chemrof:smiles_string | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |
Known URLs
35Where 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 |
|---|---|---|
| beilstein | beilstein:497807 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=83-89-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8711 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.637 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.371 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7022627 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01103 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01103 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2338 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2338 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL7568 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H0C805XYDE | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015235 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.877F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07339 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D08179 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07339 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D08179 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-1577 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=145826 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ATABRINE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C67059 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C87656 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164745551 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/YNBYCUC8A8TY | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL7568 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/237 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002327 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11339632 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11908878 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19747949 | enrich_references.chebi_xrefs |
| reaxys | reaxys:95500 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q417208 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Mepacrine | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Quinacrine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9ca9fea3-6e8c-4818-a0d6-638f695513e0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 97ca0282-034b-446e-8c2e-0f1525070bd8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 658dfff1-1931-4f14-be58-d954484080aa | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 71ea2778-ac01-4b57-bf17-7982895949fb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2d10526d-64ff-4471-a9f1-f0360281a37d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 6d1ae917-c3ec-4e8b-a6ff-fb492077544d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f1565f07-6e66-4685-bcf6-cb276b6527c7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 68180c2e-7351-41fb-8cec-ec4833cce1a7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ad747a6e-ffe3-409c-9a7f-f8d8b4c83266 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 9ba9cc8a-3995-4ef1-bc9b-8c89bc7ed587 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3f1c48da-5acf-4259-b4d9-514a3bf7ba11 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 04264b6b-fd52-44f3-b593-c1742ce378fd | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 463118be-2699-4897-a04e-b374dfa8f7bf | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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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