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CHEBI:125488 - butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester

ChEBI IDCHEBI:125488
ChEBI Namebutanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester
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DownloadsMolfile
FormulaC22H25NOS
Net Charge0
Average Mass351.515
Monoisotopic Mass351.16569
SMILESCCCC(=O)Sc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1
InChIInChI=1S/C22H25NOS/c1-2-6-22(24)25-17-12-10-16(11-13-17)20-15-23-14-5-9-21(23)19-8-4-3-7-18(19)20/h3-4,7-8,10-13,20-21H,2,5-6,9,14-15H2,1H3/t20-,21+/m0/s1
InChIKeyNFDUFLJCZCXASW-LEWJYISDSA-N
ChEBI Ontology
Outgoing Relation(s)
butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester (CHEBI:125488) is a isoquinolines (CHEBI:24922)
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LSM-36987LINCS