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CHEBI:125181 - (3aR,10bR)-5-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-3a-(phenylmethyl)-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one

ChEBI IDCHEBI:125181
ChEBI Name(3aR,10bR)-5-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-3a-(phenylmethyl)-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one
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FormulaC35H34N2O6S
Net Charge0
Average Mass610.732
Monoisotopic Mass610.21376
SMILESO=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]12Cc1ccccc1
InChIInChI=1S/C35H34N2O6S/c38-21-9-22-42-29-18-16-27(17-19-29)33-36-35(24-26-10-3-1-4-11-26)32(43-33)31-15-8-7-12-28(31)25-37(34(35)39)20-23-44(40,41)30-13-5-2-6-14-30/h1-8,10-19,32,38H,9,20-25H2/t32-,35-/m1/s1
InChIKeyCRNLVHYOIHPORM-FHPVIJFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aR,10bR)-5-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-3a-(phenylmethyl)-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one (CHEBI:125181) is a benzazepine (CHEBI:35676)
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