Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

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-LHHVKLHASA-N
Molecular Formula	C20H24N2O2
Exact Mass	324.417 g/mol

Data and Resources

Field	Value
DOI	10.14272/LOUPRKONTZGTKE-LHFMAAMQSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/LOUPRKONTZGTKE-LHFMAAMQSA-N/CHMO0001150
Version
Author	Johannes Liermann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:17:59.754459
MetadataModified	2024-09-08T04:17:59.754464
MetadataPublished	2024-07-31

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
441074	PubChem
PD002895	ProbesDrugs
14899514	PubChem: Thomson Pharma
LSM-3325	LINCS
ITX08688JL	FDA SRS
BOMDUC	CCDC
QDN	PDBe
2342	Guide to Pharmacology
SCHEMBL15943	SureChEMBL
40248436	NMRShiftDB
quinidine	DailyMed
LSM-46038	LINCS
HMDB0015044	Human Metabolome Database
MTBLC28593	Metabolights
145069	Brenda
4861	Brenda
PA451209	PharmGKB
145983	Brenda
2346	DrugCentral
ZINC000003831405	ZINC
DTXSID4023549	EPA CompTox Dashboard
MCULE-7178915526	Mcule
SCHEMBL17537608	SureChEMBL
HY-B1751	MedChemExpress
QUINIDEX	clinicaltrials
CIN-QUIN	clinicaltrials
QUINIDINE	clinicaltrials
DURAQUIN	clinicaltrials
QUINAGLUTE	clinicaltrials
QUINORA	clinicaltrials
QUINIDINE SULFATE	clinicaltrials
QUINIDINE GLUCONATE	clinicaltrials
QUINIDEX EXTENTABS	clinicaltrials
QUINIDINE SULFATE	rxnorm
QUINIDINE GLUCONATE	rxnorm
QUINIDINE	rxnorm
QUINIDINE	DailyMed
229836	Brenda
229835	Brenda
50121975	BindingDB
CHEMBL1294	ChEMBL
SAM002264644	NIH Clinical Collection
28593	ChEBI
DB00908	DrugBank
29549620	eMolecules
489570	eMolecules
30781683	eMolecules
The data in this table is sourced from UniChem at EBI.