CHEBI:94777 - (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

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ChEBI Name (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione ChEBI ID CHEBI:94777 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H30N4O2S Net Charge 0 Average Mass 426.577 Monoisotopic Mass 426.20895 InChI InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+ InChIKey FBVFZWUMDDXLLG-HDICACEKSA-N SMILES C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CHEBI:94777) is a N-arylpiperazine (CHEBI:46848) Synonyms Sources lullan DrugCentral perospirone HCl DrugCentral perospirone hydrochloride DrugCentral perospirone hydrochloride dihydrate DrugCentral perospirone hydrochloride hydrate DrugCentral SM 9018 DrugCentral SM-9018 DrugCentral Manual Xrefs Databases 2112 DrugCentral LSM-5912 LINCS View more database links Registry Number Type Source 150915-41-6 CAS Registry Number DrugCentral Last Modified 22 February 2017