CHEBI:80954 - Sceptrin

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ChEBI Name Sceptrin
ChEBI ID CHEBI:80954
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H24Br2N10O2
Net Charge 0
Average Mass 620.30000
Monoisotopic Mass 618.04505
InChI InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1
InChIKey YPZNLFZLPZWWAD-GWIYSAMLSA-N
SMILES Nc1ncc([nH]1)[C@H]1[C@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H]1c1cnc(N)[nH]1
ChEBI Ontology
Outgoing Sceptrin (CHEBI:80954) is a pyrroles (CHEBI:26455)
Sceptrin (CHEBI:80954) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
C17166 KEGG COMPOUND
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Registry Number Type Source
79638-16-7 CAS Registry Number KEGG COMPOUND
Last Modified
07 March 2018