CHEBI:106070 - [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

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ChEBI Name [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
ChEBI ID CHEBI:106070
Stars This entity has been manually annotated by a third party.
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Formula C30H36N2O4S
Net Charge 0
Average Mass 520.685
Monoisotopic Mass 520.23958
InChI InChI=1S/C30H36N2O4S/c1-2-35-30-24(12-8-18-33)25(26-21-37-28-13-7-6-11-23(26)28)19-27(36-30)29(34)32-16-14-31(15-17-32)20-22-9-4-3-5-10-22/h3-7,9-11,13,19,21,24-25,30,33H,2,8,12,14-18,20H2,1H3/t24-,25+,30-/m1/s1
InChIKey RHQPDZCTKOVIKR-UNHDOIQYSA-N
SMILES CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CSC5=CC=CC=C54)CCCO
ChEBI Ontology
Outgoing [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone (CHEBI:106070) is a 1-benzothiophenes (CHEBI:38836)
Manual Xref Database
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