74626-44-1
N-((1,2,9,10-TETRAMETHOXY-6A-ALPHA-APORPHIN-3-YL)METHYL)BENZAMIDE HYDROCHLORIDE
NameN-((1,2,9,10-TETRAMETHOXY-6A-ALPHA-APORPHIN-3-YL)METHYL)BENZAMIDE HYDROCHLORIDE
FormulaC28 H30 N2 O5 . Cl H
1Identification
【Name】
N-((1,2,9,10-TETRAMETHOXY-6A-ALPHA-APORPHIN-3-YL)METHYL)BENZAMIDE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01743912
【English Synonyms】
【Formula】
C28 H30 N2 O5 . Cl H
【MolWeight】
511.015
【Inchi】
InChI=1S/C28H30N2O5.ClH/c1-32-22-13-17-12-21-24-18(10-11-29-21)20(15-30-28(31)16-8-6-5-7-9-16)26(34-3)27(35-4)25(24)19(17)14-23(22)33-2;/h5-9,13-14,21,29H,10-12,15H2,1-4H3,(H,30,31);1H/t21-;/m0./s1
【InChIKey】
InChIKey=GTBKEYKNKDHCGO-BOXHHOBZSA-N
【SMILES】
COc1cc2c(cc1OC)-c3c4c(c(c(c3OC)OC)CNC(=O)c5ccccc5)CCN[C@H]4C2.Cl
【MOL File】
N-((1,2,9,10-TETRAME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-((1,2,9,10-TETRAMETHOXY-6A-ALPHA-APORPHIN-3-YL)METHYL)BENZAMIDE HYDROCHLORIDE.cml