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CHEBI:81391 - Thioperamide

Default Structure
ChEBI IDCHEBI:81391
ChEBI NameThioperamide
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC15H24N4S
Net Charge0
Average Mass292.452
Monoisotopic Mass292.17217
SMILESS=C(NC1CCCCC1)N1CCC(c2cncn2)CC1
InChIInChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKeyQKDDJDBFONZGBW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thioperamide (CHEBI:81391) is a primary aliphatic amine (CHEBI:17062)
Manual XrefsDatabases
C17933KEGG COMPOUND
LSM-3426LINCS
Registry NumbersSources
CAS:106243-16-7KEGG COMPOUND