Dataset
Mepacrine
Chemical Info
InChI | 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) |
---|---|
SMILES | CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1 |
InChI Key | GPKJTRJOBQGKQK-UHFFFAOYSA-N |
Molecular Formula | C23H30ClN3O |
Exact Mass | 399.208 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00470 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:42:38.348132 |
MetadataModified | 2024-01-11T16:42:38.566563 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL7568 | ChEMBL |
C07339 | KEGG Ligand |
8711 | ChEBI |
DB01103 | DrugBank |
1221687 | eMolecules |
27523606 | eMolecules |
50015214 | BindingDB |
QUINACRINE | rxnorm |
QUINACRINE HYDROCHLORIDE | clinicaltrials |
ATABRINE | clinicaltrials |
2338 | DrugCentral |
MEPACRINE | clinicaltrials |
H0C805XYDE | FDA SRS |
DTXSID7022627 | EPA CompTox Dashboard |
QUINACRINE | clinicaltrials |
171917 | Brenda |
HMDB0015235 | Human Metabolome Database |
1593 | Brenda |
98049 | Brenda |
105492 | Brenda |
107156 | Brenda |
44829 | Brenda |
10172 | Guide to Pharmacology |
14781277 | PubChem: Thomson Pharma |
5181 | Brenda |
38969 | Brenda |
29761 | Brenda |
237 | PubChem |
PD009806 | ProbesDrugs |
CB7138654 | ChemicalBook |
PA164745551 | PharmGKB |
SCHEMBL19225 | SureChEMBL |
83-89-6 | ACToR |
66777-81-9 | ACToR |
LSM-1577 | LINCS |
MCULE-3049117865 | Mcule |
J3.877F | Nikkaji |
The data in this table is sourced from UniChem at EBI. |