CHEBI:177468 - pentiapine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name pentiapine
ChEBI ID CHEBI:177468
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H17N5S
Net Charge 0
Average Mass 299.400
Monoisotopic Mass 299.12047
InChI InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
InChIKey FACMWMBWGSPRKO-UHFFFAOYSA-N
SMILES S1C=2N(C(N3CCN(CC3)C)=NC=4C1=CC=CC4)C=CN2
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing pentiapine (CHEBI:177468) is a aryl sulfide (CHEBI:35683)
IUPAC Name
5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Manual Xref Database
49448 ChemSpider
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Registry Number Type Source
81382-51-6 CAS Registry Number ChemIDplus