Chemical Component Summary

NameD-TUBOCURARINE
FormulaC37 H42 N2 O6
Molecular Weight610.739
TypeNON-POLYMER
Isomeric SMILESC[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC
InChIInChI=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+2/t28-,29+/m0/s1
InChIKeyJFJZZMVDLULRGK-URLMMPGGSA-P

Chemical Details

Formal Charge2
Atom Count87
Chiral Atom Count2
Bond Count93
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 452970
CCDC/CSD TUBOBM