Dataset

Galantamine.apt

Chemical Info

InChI	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
SMILES	COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
InChI Key	ASUTZQLVASHGKV-JDFRZJQESA-N
Molecular Formula	C17H21NO3
Exact Mass	287.350 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s253.d1466
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1466
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:16:47.950595
MetadataModified	2024-09-23T09:32:49.720088
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	a
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 298 K magnetic field strength : 14.092002289585412 Tesla number of scans : 4819 scans nuclear magnetic resonance pulse sequence : aptsp.ber Spectral Width : 230.070686481855 number of data points : 4 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
CHEMBL659	ChEMBL
GNT	PDBe
C08526	KEGG Ligand
901931	eMolecules
31226179	eMolecules
36753247	eMolecules
GALANTAMINE HYDROBROMIDE	rxnorm
138752	Brenda
70637	Brenda
GALANTAMINE	DailyMed
10404	BindingDB
ZINC000000491073	ZINC
1272	DrugCentral
DTXSID2045606	EPA CompTox Dashboard
MCULE-7156449246	Mcule
1T835Z585R	FDA SRS
HY-76299	MedChemExpress
REMINYL	clinicaltrials
RAZADYNE	clinicaltrials
NIVALINE	clinicaltrials
GALANTAMINE HYDROBROMIDE	clinicaltrials
NIVALIN	clinicaltrials
GALANTAMINE	clinicaltrials
GALANTAMINE	rxnorm
RAZADYNE	rxnorm
galantamine	DailyMed
HMDB0014812	Human Metabolome Database
25855	Brenda
1391	Brenda
CB8345888	ChemicalBook
J11.407C	Nikkaji
17243	Brenda
MTBLC42944	Metabolights
PA449726	PharmGKB
SIBHAM	CCDC
42944	ChEBI
6693	Guide to Pharmacology
20062583	NMRShiftDB
MCULE-7226205054	Mcule
SCHEMBL2577	SureChEMBL
1551-02-6	ACToR
1953-04-4	ACToR
357-70-0	ACToR
14751181	PubChem: Thomson Pharma
LSM-5604	LINCS
0D3Q044KCA	FDA SRS
DB00674	DrugBank
PD001452	ProbesDrugs
14775584	PubChem: Thomson Pharma
9651	PubChem
The data in this table is sourced from UniChem at EBI.