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CHEBI:42674 - (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE

Default Structure
ChEBI IDCHEBI:42674
ChEBI Name(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H24FN4O2
Net Charge+1
Average Mass407.469
Monoisotopic Mass407.18778
SMILES[H]c1c([H])c(C([H])([H])N2C(=O)[C@@]3([H])[C@@]([H])(C2=O)[C@@]2([H])N(C([H])([H])C([H])([H])C2([H])[H])[C@@]3([H])c2c([H])c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c2[H])c([H])c([H])c1F
InChIInChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/p+1/t17-,18-,19-,20-/m0/s1
InChIKeyGJYCQHGTXMVIBG-MUGJNUQGSA-O
ChEBI Ontology
Outgoing Relation(s)
(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE (CHEBI:42674) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINEPDBeChem
amino{4-[(3aS,4R,8aS,8bR)-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}methaniminiumPDBeChem
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