Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
---|---|
SMILES | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O |
InChI Key | LOUPRKONTZGTKE-WZBLMQSHSA-N |
Molecular Formula | C20H24N2O2 |
Exact Mass | 324.417 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001146 |
Version | |
Author | Johannes Liermann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:29:50.347245 |
MetadataModified | 2024-09-08T04:29:50.347252 |
MetadataPublished | 2024-08-13 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL170 | ChEMBL |
15854 | ChEBI |
6843708 | eMolecules |
29549573 | eMolecules |
30151887 | eMolecules |
3034034 | PubChem |
PD010011 | ProbesDrugs |
GLS 1200 | clinicaltrials |
GLS-1200 | clinicaltrials |
GLS1200 | clinicaltrials |
14797229 | PubChem: Thomson Pharma |
A7V27PHC7A | FDA SRS |
1407-83-6 | ACToR |
56480783 | PubChem: Thomson Pharma |
DB00468 | DrugBank |
BOMDUC | CCDC |
QI9 | PDBe |
J654.524F | Nikkaji |
SCHEMBL27031 | SureChEMBL |
MTBLC15854 | Metabolights |
60004827 | NMRShiftDB |
quinine | DailyMed |
2219 | Brenda |
HMDB0014611 | Human Metabolome Database |
QUININE HYDROCHLORIDE DIHYDRATE | clinicaltrials |
QUININE SULFATE | clinicaltrials |
QUINAMM | clinicaltrials |
QUINATE | clinicaltrials |
HY-D0143 | MedChemExpress |
2510 | Guide to Pharmacology |
DTXSID0044280 | EPA CompTox Dashboard |
4523 | DrugCentral |
ZINC000003831404 | ZINC |
50367247 | BindingDB |
229837 | Brenda |
229838 | Brenda |
QUININE | DailyMed |
QUININE BISULFATE | rxnorm |
QUININE SALICYLATE | rxnorm |
QUININE HYDROCHLORIDE | rxnorm |
QUININE ASCORBATE | rxnorm |
QUINATE | rxnorm |
QUININE | rxnorm |
QUININE DIHYDROCHLORIDE | rxnorm |
QUININE SULFATE | rxnorm |
QUALAQUIN | rxnorm |
BIQUINATE | clinicaltrials |
QUININE | clinicaltrials |
QUININE BISULFATE | clinicaltrials |
QUININE DIHYDROCHLORIDE | clinicaltrials |
QUININE HYDROCHLORIDE | clinicaltrials |
The data in this table is sourced from UniChem at EBI. |