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CHEBI:127496 - [(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

ChEBI IDCHEBI:127496
ChEBI Name[(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
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DownloadsMolfile
FormulaC25H23FN2O5S
Net Charge0
Average Mass482.533
Monoisotopic Mass482.13117
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H23FN2O5S/c26-17-6-8-18(9-7-17)34(30,31)28-13-21-25(19-3-1-2-4-20(19)28)22(14-29)27(21)12-16-5-10-23-24(11-16)33-15-32-23/h1-11,21-22,25,29H,12-15H2/t21-,22+,25+/m0/s1
InChIKeyLVICBAVDXUVLQS-SGIRGMQISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol (CHEBI:127496) is a aminoquinoline (CHEBI:36709)
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