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CHEBI:231346 - NNC 05-2090 hydrochloride

Default Structure
ChEBI IDCHEBI:231346
ChEBI NameNNC 05-2090 hydrochloride
Stars
DefinitionNNC 05-2090 hydrochloride is a GABA uptake inhibitor and inhibitor of the beta-GABA transporter (BGT-1).
Submitterdelphine
DownloadsMolfile
FormulaC27H30N2O2.HCl
Net Charge0
Average Mass451.010
Monoisotopic Mass450.20741
SMILESCOc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C27H30N2O2.ClH/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29;/h2-7,9-14,30H,8,15-20H2,1H3;1H
InChIKeyWDFXPKKFSNMGOO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
NNC 05-2090 hydrochloride (CHEBI:231346) is a organic molecular entity (CHEBI:50860)
Synonym  Source
NNC 05-2090SUBMITTER
Registry NumbersSources
CAS:184845-18-9SUBMITTER