Chem
J-GLOBAL ID：200907002351326681   Nikkaji number：J413.178I

Org-4428

Org-4428
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H21NO2
Molecular formula furigana： C19-H21-N-O2
Molecular weight： 295.382
InChI： InChI=1S/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3/t16-,19-/m0/s1
InChI key： RPMDQAYGQBREBS-LPHOPBHVSA-N
SMILES： CN1CC[C@@]2(O)[C@@H](C1)c1cccc(C)c1Oc1ccccc21
Systematic name  (3)：
  • 1,2,3,4,4a,13bβ-ヘキサヒドロ-4aβ-ヒドロキシ-2,10-ジメチルジベンゾ[2,3:6,7]オキセピノ[4,5-c]ピリジン
  • (2R,7R)-4,16-ジメチル-14-オキサ-4-アザテトラシクロ[13.4.0.02,7.08,13]ノナデカ-1(19),8,10,12,15,17-ヘキサエン-7-オール
  • (2R,7R)-4,16-dimethyl-14-oxa-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-7-ol
Other name (2)：
  • 1,2,3,4,4a,13bβ-Hexahydro-4aβ-hydroxy-2,10-dimethyldibenz[2,3:6,7]oxepino[4,5-c]pyridine
  • Org-4428
Thsaurus map：
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