Chem
J-GLOBAL ID：200907095725934670   Nikkaji number：J96.562F

Metocurine

メトクリン
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： C40H48[N+]2O6
Molecular formula furigana： C40-H48-N2-O6
Molecular weight： 652.831
InChI： InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
InChI key： JFXBEKISTKFVAB-AJQTZOPKSA-N
SMILES： COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc3ccc(C[C@H]4c5cc(Oc1c2)c(OC)cc5CC[N+]4(C)C)cc3
Systematic name  (4)：
  • 6,6′,7′,12′-テトラメトキシ-2,2,2′,2′-テトラメチルツボクララン-2,2′-ジイウム
  • (+)-6,6′,7′,12′-テトラメトキシ-2,2,2′,2′-テトラメチルツボクララン-2,2′-ジイウム
  • (1S,16R)-9,10,21,25-テトラメトキシ-15,15,30,30-テトラメチル-7,23-ジオキサ-15,30-ジアザヘプタシクロ[22.6.2.23,6.18,12.118,22.027,31.016,34]ヘキサトリアコンタ-3,5,8,10,12(34),18,20,22(33),24,26,31,35-ドデカエン-15,30-ジイウム
  • (1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaene-15,30-diium
Other name (6)：
  • (+)-6,6′,7′,12′-Tetramethoxy-2,2,2′,2′-tetramethyltubocuraran-2,2′-diium
  • メトクリン
  • ジメチルコンドロクラリン
  • Metocurine
  • Dimethylchondrocurarine
Show all
CAS registry number： 5152-30-7
Regulation number (1)：
  • YO5250000
KEGG COMPOUND： C07919
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