Chem
J-GLOBAL ID：200907038142680421   Nikkaji number：J791.479B

Berberastine

ベルベラスチン
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： C20H18[N+]O5
Molecular formula furigana： C20-H18-N-O5
Molecular weight： 352.365
InChI： InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1
InChI key： VFCGRXCCUHLLIP-UHFFFAOYSA-N
SMILES： COc1ccc2cc3c4cc5OCOc5cc4C(O)C[n+]3cc2c1OC
Systematic name  (3)：
  • 5,6-ジヒドロ-5-ヒドロキシ-9,10-ジメトキシベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
  • 11-ヒドロキシ-16,17-ジメトキシ-5,7-ジオキサ-13λ5-アザペンタシクロ[11.8.0.02,10.04,8.015,20]ヘンイコサ-1(21),2,4(8),9,13,15,17,19-オクタエン-13-イリウム
  • 11-hydroxy-16,17-dimethoxy-5,7-dioxa-13λ5-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-13-ylium
Other name (3)：
  • ベルベラスチン
  • Berberastine
  • 5,6-Dihydro-5-hydroxy-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
CAS registry number： 2435-73-6
KEGG COMPOUND： C09360
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM