Dataset

Galantamine.apt

Chemical Information

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

Galantamine.aptHTML

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Related Molecule ⌄

(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Metadata Information

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
MetadataPublished	2023-12-24 21:57:47
Related Molecule	(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

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
DB00674	drugbank
GNT	rcsb_pdb
CHEMBL659	chembl
2577	surechembl
29379520	surechembl
9651	pubchem
0D3Q044KCA	fdasrs
1T835Z585R	fdasrs
PD001452	probes_and_drugs
SIBHAM	CCDC
138752	brenda
1391	brenda
17243	brenda
25855	brenda
70637	brenda
HMDB0014812	hmdb
1274463	bindingdb
1274464	bindingdb
17331	bindingdb
17336	bindingdb
17371	bindingdb
17745	bindingdb
17779	bindingdb
183478	bindingdb
183483	bindingdb
18678	bindingdb
18699	bindingdb
199288	bindingdb
290175	bindingdb
290204	bindingdb
292991	bindingdb
293034	bindingdb
339341	bindingdb
34126	bindingdb
34136	bindingdb
343756	bindingdb
343774	bindingdb
351690	bindingdb
351724	bindingdb
351762	bindingdb
351777	bindingdb
354301	bindingdb
354328	bindingdb
388743	bindingdb
388768	bindingdb
388981	bindingdb
389016	bindingdb
395866	bindingdb
395900	bindingdb
406642	bindingdb
406645	bindingdb
408382	bindingdb
50017159	bindingdb
50049161	bindingdb
50064888	bindingdb
50075296	bindingdb
50075313	bindingdb
50082569	bindingdb
50086586	bindingdb
50086609	bindingdb
50087086	bindingdb
50094330	bindingdb
50094419	bindingdb
50104846	bindingdb
50104881	bindingdb
50155117	bindingdb
50159281	bindingdb
50232484	bindingdb
50233736	bindingdb
50233907	bindingdb
50236785	bindingdb
50236786	bindingdb
50258657	bindingdb
50262672	bindingdb
50269726	bindingdb
50269728	bindingdb
50286978	bindingdb
50287067	bindingdb
50287953	bindingdb
50304041	bindingdb
50326705	bindingdb
50326736	bindingdb
50326738	bindingdb
50326739	bindingdb
50332130	bindingdb
50332131	bindingdb
50332376	bindingdb
50350290	bindingdb
50352547	bindingdb
50353665	bindingdb
50358456	bindingdb
50358459	bindingdb
50359049	bindingdb
50359054	bindingdb
50363819	bindingdb
50364363	bindingdb
50367821	bindingdb
50367846	bindingdb
50376795	bindingdb
50376796	bindingdb
50388357	bindingdb
50401153	bindingdb
50401154	bindingdb
50409271	bindingdb
50409311	bindingdb
50412102	bindingdb
50412103	bindingdb
50412244	bindingdb
50418053	bindingdb
50424932	bindingdb
50424933	bindingdb
50426986	bindingdb
50426994	bindingdb
50433264	bindingdb
50453301	bindingdb
50462549	bindingdb
50473570	bindingdb
50473622	bindingdb
50481802	bindingdb
50481829	bindingdb
50490187	bindingdb
50497695	bindingdb
50506488	bindingdb
50506907	bindingdb
50506920	bindingdb
50510550	bindingdb
50510553	bindingdb
50510888	bindingdb
50517952	bindingdb
50517953	bindingdb
50520023	bindingdb
50520028	bindingdb
50523156	bindingdb
50531611	bindingdb
50536983	bindingdb
50540064	bindingdb
50543873	bindingdb
50543876	bindingdb
50553250	bindingdb
50553268	bindingdb
50553269	bindingdb
50553724	bindingdb
50554864	bindingdb
50554882	bindingdb
50557638	bindingdb
50557650	bindingdb
50574318	bindingdb
50574330	bindingdb
50579257	bindingdb
50579317	bindingdb
50582900	bindingdb
50582930	bindingdb
50590120	bindingdb
50592215	bindingdb
50620001	bindingdb
50620006	bindingdb
50621462	bindingdb
50621464	bindingdb
50634232	bindingdb
50634254	bindingdb
50635730	bindingdb
50635766	bindingdb
50636572	bindingdb
50636579	bindingdb
50645451	bindingdb
50645459	bindingdb
50645467	bindingdb
50645477	bindingdb
50646244	bindingdb
50646249	bindingdb
50664168	bindingdb
50664190	bindingdb
50676299	bindingdb
50683082	bindingdb
50706953	bindingdb
50706966	bindingdb
50713135	bindingdb
50713386	bindingdb
50714971	bindingdb
50715260	bindingdb
50726039	bindingdb
50726057	bindingdb
50731618	bindingdb
50733768	bindingdb
50739113	bindingdb
50761237	bindingdb
50761246	bindingdb
50761350	bindingdb
50761357	bindingdb
50769675	bindingdb
50769678	bindingdb
50772588	bindingdb
50773107	bindingdb
50773267	bindingdb
50773532	bindingdb
50773956	bindingdb
50830765	bindingdb
50830783	bindingdb
50837362	bindingdb
50848472	bindingdb
50848505	bindingdb
50850866	bindingdb
50850877	bindingdb
50852142	bindingdb
50870760	bindingdb
50870809	bindingdb
50870817	bindingdb
50870819	bindingdb
50871662	bindingdb
50871663	bindingdb
50871664	bindingdb
50872264	bindingdb
50872266	bindingdb
50874574	bindingdb
50879193	bindingdb
50879194	bindingdb
50903502	bindingdb
50903819	bindingdb
50906372	bindingdb
50908504	bindingdb
50908507	bindingdb
50912051	bindingdb
50912063	bindingdb
50913363	bindingdb
50913380	bindingdb
50913383	bindingdb
50918299	bindingdb
50918670	bindingdb
50918817	bindingdb
50920749	bindingdb
50928767	bindingdb
50928771	bindingdb
50941550	bindingdb
50941558	bindingdb
50943884	bindingdb
50943896	bindingdb
50950752	bindingdb
50961469	bindingdb
50961480	bindingdb
50966731	bindingdb
50966734	bindingdb
50970303	bindingdb
50970661	bindingdb
50972773	bindingdb
50972790	bindingdb
50984441	bindingdb
50991326	bindingdb
50991336	bindingdb
50994287	bindingdb
50994293	bindingdb
50999041	bindingdb
50999046	bindingdb
51010677	bindingdb
51039201	bindingdb
51039205	bindingdb
51046436	bindingdb
51046440	bindingdb
51055940	bindingdb
51055957	bindingdb
51056212	bindingdb
51056237	bindingdb
51062944	bindingdb
51063142	bindingdb
51064525	bindingdb
51064550	bindingdb
51066313	bindingdb
51066334	bindingdb
51067672	bindingdb
51067677	bindingdb
51073859	bindingdb
51073880	bindingdb
51078051	bindingdb
51080474	bindingdb
51080498	bindingdb
51088580	bindingdb
51088611	bindingdb
51090387	bindingdb
51093035	bindingdb
51093830	bindingdb
51095888	bindingdb
51095893	bindingdb
51098778	bindingdb
51098779	bindingdb
51117649	bindingdb
51122331	bindingdb
51122334	bindingdb
51131700	bindingdb
51131705	bindingdb
51136947	bindingdb
51136949	bindingdb
51144128	bindingdb
51144133	bindingdb
51171770	bindingdb
51183602	bindingdb
51183603	bindingdb
51189676	bindingdb
51189707	bindingdb
51193206	bindingdb
51193213	bindingdb
51207968	bindingdb
51217864	bindingdb
51217874	bindingdb
51218262	bindingdb
51218277	bindingdb
51218501	bindingdb
51218507	bindingdb
51233043	bindingdb
51233048	bindingdb
51242891	bindingdb
51242897	bindingdb
51242907	bindingdb
51248644	bindingdb
51248653	bindingdb
51254012	bindingdb
51254031	bindingdb
51254036	bindingdb
51256423	bindingdb
51256442	bindingdb
51256741	bindingdb
51261732	bindingdb
51261753	bindingdb
51263986	bindingdb
51264039	bindingdb
51265842	bindingdb
51265844	bindingdb
51284073	bindingdb
51284078	bindingdb
51285227	bindingdb
51285244	bindingdb
51286975	bindingdb
51287020	bindingdb
51287047	bindingdb
51325365	bindingdb
51325381	bindingdb
51338004	bindingdb
51338028	bindingdb
51354732	bindingdb
51356879	bindingdb
51396699	bindingdb
51396716	bindingdb
51398103	bindingdb
51398156	bindingdb
51428654	bindingdb
51428666	bindingdb
51430015	bindingdb
51430041	bindingdb
51435356	bindingdb
51435394	bindingdb
51462462	bindingdb
51463356	bindingdb
51463361	bindingdb
51467817	bindingdb
51467841	bindingdb
51470083	bindingdb
51470108	bindingdb
51475774	bindingdb
51475784	bindingdb
51487173	bindingdb
51509872	bindingdb
51510184	bindingdb
51510192	bindingdb
51510778	bindingdb
51510805	bindingdb
51510813	bindingdb
51510819	bindingdb
51510836	bindingdb
51525845	bindingdb
51526397	bindingdb
51526398	bindingdb
51548092	bindingdb
51548095	bindingdb
51548104	bindingdb
51548107	bindingdb
51557469	bindingdb
51557528	bindingdb
51557784	bindingdb
51557797	bindingdb
51557820	bindingdb
51575349	bindingdb
51575370	bindingdb
560594	bindingdb
560595	bindingdb
Molport-002-521-885	molport
1272	drugcentral
The data in this table is sourced from UniChem at EBI.