Chem
J-GLOBAL ID：200907022359415609   Nikkaji number：J193.260H

Tubocurarine

ツボクラリン
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： C37H41N[N+]O6
Molecular formula furigana： C37-H41-N2-O6
Molecular weight： 609.742
InChI： InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
InChI key： JFJZZMVDLULRGK-URLMMPGGSA-O
SMILES： COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Systematic name  (4)：
  • 7′,12′-ジヒドロキシ-6,6′-ジメトキシ-2,2′,2′-トリメチルツボクララン-2′-イウム
  • (+)-7′,12′-ジヒドロキシ-6,6′-ジメトキシ-2,2′,2′-トリメチルツボクララン-2′-イウム
  • (1S,16R)-9,21-ジヒドロキシ-10,25-ジメトキシ-15,15,30-トリメチル-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(32),25,27(31),35-ドデカエン-15-イウム
  • (1S,16R)-9,21-dihydroxy-10,25-dimethoxy-15,15,30-trimethyl-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(32),25,27(31),35-dodecaen-15-ium
Other name (10)：
  • ツボクラリン
  • Tubocurarine
  • d-Tubocurarine
  • (+)-Tubocurarine
  • d-ツボクラリン
Show all
CAS registry number： 57-95-4
Regulation number (1)：
  • YO4025000
KEGG COMPOUND： C07547
Application (3)：
muscle relaxant ,  neuromuscular blocking drug ,  ganglion blocking drug
Thsaurus map：
Thesaurus Map

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