Catalog Number:
AG000KC3
Chemical Name:
(1R,4R,5R)-3-Oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid cinchonidine salt
CAS Number:
1233219-43-6
Molecular Formula:
C26H30N2O5
Molecular Weight:
450.5268
MDL Number:
MFCD29048622
IUPAC Name:
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R,4R,5R)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid
InChI:
InChI=1S/C19H22N2O.C7H8O4/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;8-6(9)4-1-3-2-5(4)7(10)11-3/h2-7,9,13-14,18-19,22H,1,8,10-12H2;3-5H,1-2H2,(H,8,9)/t13-,14-,18-,19+;3-,4-,5-/m01/s1
InChI Key:
BDVKLMPZTGFPDI-CRZCYLAWSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)O
