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CHEBI:128752 - 3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:128752
ChEBI Name3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC25H28N4O2S
Net Charge0
Average Mass448.592
Monoisotopic Mass448.19330
SMILESCN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@H](CO)N3)c1
InChIInChI=1S/C25H28N4O2S/c1-28(2)25(31)18-5-3-4-16(12-18)17-6-7-21-20(13-17)24-19(22(15-30)27-21)8-10-29(24)14-23-26-9-11-32-23/h3-7,9,11-13,19,22,24,27,30H,8,10,14-15H2,1-2H3/t19-,22+,24-/m1/s1
InChIKeyKJPRLQVAZHXAED-WNOPAQSVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:128752) is a quinolines (CHEBI:26513)
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