Tubocurarine
[CAS# 57-95-4]

Identification

• Name: Tubocurarine
• Synonyms: Specplus_000475; Spectrum_001966; Spectrum4_001922
• Molecular Formula: C₃₇H₄₁N₂O₆
• Molecular Weight: 609.74
• CAS Registry Number: 57-95-4
• SMILES: [C@H]15[N+](CCC2=CC(=C(O)C(=C12)OC7=CC=C(C[C@@H]3N(CCC6=C3C=C(OC4=C(O)C=CC(=C4)C5)C(=C6)OC)C)C=C7)OC)(C)C
• 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
• InChIKey: JFJZZMVDLULRGK-URLMMPGGSA-O

Properties

• solubility: Soluble to 25 mM in water and to 10 mM in DMSO

References

• (1): Liuqing Yang and Joachim Stöckigt. Trends for diverse production strategies of plant medicinal alkaloids, Nat. Prod. Rep., 2010, 27, 1469.