5489-15-6
O-METHYLISOCORYDINE IODOMETHYLATE
NameO-METHYLISOCORYDINE IODOMETHYLATE
FormulaC21 H25 N O4 . C H3 I
1Identification
【Name】
O-METHYLISOCORYDINE IODOMETHYLATE
【CAS】
【MDL】
MFCD00274513
【English Synonyms】
【Formula】
C21 H25 N O4 . C H3 I
【MolWeight】
497.366
【Inchi】
InChI=1S/C21H25NO4.CH3I/c1-22-9-8-13-11-16(24-3)21(26-5)19-17(13)14(22)10-12-6-7-15(23-2)20(25-4)18(12)19;1-2/h6-7,11,14H,8-10H2,1-5H3;1H3/t14-;/m1./s1
【InChIKey】
InChIKey=WTPXHCKKFAQVOF-PFEQFJNWSA-N
【SMILES】
CN1CCc2cc(c(c-3c2[C@H]1Cc4c3c(c(cc4)OC)OC)OC)OC.CI
【MOL File】
O-METHYLISOCORYDINE ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
O-METHYLISOCORYDINE IODOMETHYLATE.cml