Chem
J-GLOBAL ID：200907018158315072   Nikkaji number：J5.693F

Brucine

ブルシン
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： C23H26N2O4
Molecular formula furigana： C23-H26-N2-O4
Molecular weight： 394.471
InChI： InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
InChI key： RRKTZKIUPZVBMF-IBTVXLQLSA-N
SMILES： COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
Systematic name  (5)：
  • 2,3-ジメトキシストリキニジン-10-オン
  • 2,3-ジメトキシストリクニジン-10-オン
  • 2,3-ジメトキシ-10-オキソストリキニジン
  • (1R,11S,18S,20R,21R,22S)-4,5-ジメトキシ-12-オキサ-8,17-ジアザヘプタシクロ[15.5.2.01,18.02,7.08,22.011,21.015,20]テトラコサ-2(7),3,5,14-テトラエン-9-オン
  • (1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-9-one
Other name (11)：
  • ブルシン
  • 10,11-ジメトキシストリキニン
  • Brucine
  • 10,11-Dimethoxystrychnine
  • 2,3-Dimethoxystrychnidin-10-one
Show all
CAS registry number： 357-57-3
Regulation number (5)：
  • 8-(1)-882
  • EH8925000
  • EINECS2066147
  • TSCA(357-57-3)
  • UN-1570
KEGG COMPOUND： C09084
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM