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CHEBI:9568 - Thiorphan

ChEBI IDCHEBI:9568
ChEBI NameThiorphan
Stars
Last Modified24 February 2016
DownloadsMolfile
FormulaC12H15NO3S
Net Charge0
Average Mass253.323
Monoisotopic Mass253.07726
SMILESO=C(O)CNC(=O)C(CS)Cc1ccccc1
InChIInChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
InChIKeyLJJKNPQAGWVLDQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Thiorphan (CHEBI:9568) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
ThiorphanKEGG COMPOUND
Manual XrefsDatabases
C01619KEGG COMPOUND
LSM-1652LINCS
Registry NumbersSources
CAS:76721-89-6KEGG COMPOUND