Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
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.