103405-28-3
14-NICOTINOYLOXYCODEINE DIHYDROCHLORIDE
Name14-NICOTINOYLOXYCODEINE DIHYDROCHLORIDE
FormulaC24 H24 N2 O5 . 2 Cl H
1Identification
【Name】
14-NICOTINOYLOXYCODEINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01714629
【English Synonyms】
【Formula】
C24 H24 N2 O5 . 2 Cl H
【MolWeight】
493.384
【Inchi】
InChI=1S/C24H24N2O5.2ClH/c1-26-11-9-23-19-14-5-6-17(29-2)20(19)30-21(23)16(27)7-8-24(23,18(26)12-14)31-22(28)15-4-3-10-25-13-15;;/h3-8,10,13,16,18,21,27H,9,11-12H2,1-2H3;2*1H/t16-,18+,21-,23-,24+;;/m0../s1
【InChIKey】
InChIKey=CQYZAADIGFGWSS-CQZIZERDSA-N
【SMILES】
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@]3([C@H]1C5)OC(=O)c6cccnc6)O)OC.Cl.Cl
【MOL File】
14-NICOTINOYLOXYCODE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
14-NICOTINOYLOXYCODEINE DIHYDROCHLORIDE.cml