548443-20-5
(1R*,2'R*)-1-(2'-HYDROXY-2'-PHENYLETHYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Name(1R*,2'R*)-1-(2'-HYDROXY-2'-PHENYLETHYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
1Identification
【Name】
(1R*,2'R*)-1-(2'-HYDROXY-2'-PHENYLETHYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
【CAS】
【MDL】
MFCD07783062
【English Synonyms】
【Formula】
C19 H23 N O3
【MolWeight】
313.395
【Inchi】
InChI=1S/C19H23NO3/c1-22-18-10-14-8-9-20-16(15(14)11-19(18)23-2)12-17(21)13-6-4-3-5-7-13/h3-7,10-11,16-17,20-21H,8-9,12H2,1-2H3/t16-,17-/m1/s1
【InChIKey】
InChIKey=YCFTZQSGANFCHN-IAGOWNOFSA-N
【SMILES】
COc1cc2c(cc1OC)[C@H](NCC2)C[C@H](c3ccccc3)O
【MOL File】
(1R*,2'R*)-1-(2'-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(1R*,2'R*)-1-(2'-HYDROXY-2'-PHENYLETHYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE.cml