EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232985 - NS-8593

ChEBI IDCHEBI:232985
ChEBI NameNS-8593
Stars
DefinitionA member of the class of tetralins that is tetraline substituted by a 1H-benzimidazol-2-ylamino group at position 1 (the 1R-stereoisomer).
Last Modified6 January 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC17H17N3
Net Charge0
Average Mass263.344
Monoisotopic Mass263.14225
SMILESc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2n1
InChIInChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyXZIZUQSOFMLIIR-CQSZACIVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
TRP channel blocker  An agent that inhibits the passage of cations through the transient receptor potential (TRP) channels.
ChEBI Ontology
Outgoing Relation(s)
NS-8593 (CHEBI:232985) has role TRP channel blocker (CHEBI:139361)
NS-8593 (CHEBI:232985) is a benzimidazoles (CHEBI:22715)
NS-8593 (CHEBI:232985) is a secondary amino compound (CHEBI:50995)
NS-8593 (CHEBI:232985) is a tetralins (CHEBI:36786)
IUPAC Name 
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
Synonyms  Source
NS 8593ChEBI
NS8593ChEBI
(R)-N-(benzimidazol-2-yl)-1,2,3,4-tetrahydro-1-naphthylamineChEBI
Registry NumbersSources
CAS:875755-39-8SUBMITTER
Citations