CHEBI:9568 - Thiorphan

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ChEBI Name Thiorphan
ChEBI ID CHEBI:9568
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C12H15NO3S
C12H15NO3S
Net Charge 0
Average Mass 253.319
Monoisotopic Mass 253.07726
InChI InChI=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)
InChIKey LJJKNPQAGWVLDQ-UHFFFAOYSA-N
SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Thiorphan (CHEBI:9568) is a N-acyl-amino acid (CHEBI:51569)
Synonym Source
Thiorphan KEGG COMPOUND
Manual Xrefs Databases
C01619 KEGG COMPOUND
LSM-1652 LINCS
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Registry Number Type Source
76721-89-6 CAS Registry Number KEGG COMPOUND
Last Modified
24 February 2016