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CHEBI:42315 - 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE

Default Structure
ChEBI IDCHEBI:42315
ChEBI Name4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H27F3N4O
Net Charge0
Average Mass444.501
Monoisotopic Mass444.21370
SMILES[H]c1c([H])c(C([H])([H])N2C(=O)[C@@]3([H])[C@]([H])([C@@]4([H])N(C([H])([H])C([H])([H])C4([H])[H])[C@@]3([H])c3c([H])c([H])c(C([H])(N([H])[H])N([H])[H])c([H])c3[H])[C@@]2([H])C([H])(F)F)c([H])c([H])c1F
InChIInChI=1S/C24H27F3N4O/c25-16-9-3-13(4-10-16)12-31-21(22(26)27)18-17-2-1-11-30(17)20(19(18)24(31)32)14-5-7-15(8-6-14)23(28)29/h3-10,17-23H,1-2,11-12,28-29H2/t17-,18-,19-,20-,21-/m0/s1
InChIKeyVPNYXOTTXAXSIH-SXYSDOLCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE (CHEBI:42315) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,3aS,4R,8aS,8bR)-4-[4-(diaminomethyl)phenyl]-1-(difluoromethyl)-2-(4-fluorobenzyl)octahydropyrrolo[3,4-a]pyrrolizin-3(2H)-onePDBeChem
4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINEPDBeChem
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