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CHEBI:2900 - Astrocasine

ChEBI IDCHEBI:2900
ChEBI NameAstrocasine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H26N2O
Net Charge0
Average Mass310.441
Monoisotopic Mass310.20451
SMILES[H][C@]1([C@@]2([H])CCCCN2C)CC[C@]2([H])c3ccccc3C=CC(=O)N2C1
InChIInChI=1S/C20H26N2O/c1-21-13-5-4-8-18(21)16-9-11-19-17-7-3-2-6-15(17)10-12-20(23)22(19)14-16/h2-3,6-7,10,12,16,18-19H,4-5,8-9,11,13-14H2,1H3/t16-,18+,19+/m0/s1
InChIKeySYCAKKSJEGVPOL-QXAKKESOSA-N
ChEBI Ontology
Outgoing Relation(s)
Astrocasine (CHEBI:2900) is a benzazepine (CHEBI:35676)
Synonym  Source
AstrocasineKEGG COMPOUND
Manual XrefsDatabases
C10130KEGG COMPOUND
C00002021KNApSAcK
Registry NumbersSources
CAS:2114-92-3KEGG COMPOUND