|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
methyl 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxy-benzoate , 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxybenzoic acid methyl ester , methyl 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxybenzoate , methyl 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-oxidanyl-benzoate , 4-hydroxy-3-[4-[[(1S)-8-[(1-keto-6-methoxy-2-methyl-3,4-dihydroisoquinolin-7-yl)oxy]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]benzoic acid methyl ester
|
| Smiles: |
COc1cc2CCN([C@H](c2c(c1OC)Oc1cc2c(cc1OC)CCN(C2=O)C)Cc1ccc(cc1)Oc1cc(ccc1O)C(=O)OC)C
|
| InChi : |
InChI=1S/C38H40N2O9/c1-39-15-14-24-19-33(45-4)35(46-5)36(49-32-21-27-23(18-31(32)44-3)13-16-40(2)37(27)42)34(24)28(39)17-22-7-10-26(11-8-22)48-30-20-25(38(43)47-6)9-12-29(30)41/h7-12,18-21,28,41H,13-17H2,1-6H3/t28-/m0/s1
|
| InChi Key : |
InChIKey=ZDYMPVYROQQXLO-NDEPHWFRSA-N
|
| PubChem ID : |
11308369
|
|
|
|
| Rotatable bond count : |
11
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
11
|
Ionization potential : |
8.544273
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
5.131
|
| XLogP : |
2.652
|
VDW volume : |
612.260261
|
| Molecular weight : |
668.273381
|
HOMO-LUMO gap : |
8.195000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|