Substance Profile

Thebain

  • Molecular Formula: C19H21NO3
  • Element System: C-H-N-O
  • CAS-RN: 115-37-7, 78619-36-0
  • InChI: InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
  • InChI Key: FQXXSQDCDRQNQE-VMDGZTHMSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 311.3801
  • Calculated Log P: 3.076
  • Rotatable Bonds: 5
  • H Acceptors: 1
  • H Donators: 0
  • Reactions having this substance as a reactant:
  • Reactions having this substance as a product:
  • Journal articles containing this substance:
  • Patents containing this substance:
  • Other publications containing this substance:
  • Suppliers:

Data from SPRESIweb

3D Interactive Structure