4668-13-7
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-5,6,7-TRIMETHOXY-1-[(4-METHOXYPHENYL)METHYL]-HCL
NameISOQUINOLINE, 1,2,3,4-TETRAHYDRO-5,6,7-TRIMETHOXY-1-[(4-METHOXYPHENYL)METHYL]-HCL
pro_formulaC20 H25 N O4 . Cl H
1Identification
【Name】
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-5,6,7-TRIMETHOXY-1-[(4-METHOXYPHENYL)METHYL]-HCL
【CAS】
【MDL】
MFCD17019386
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H25 N O4 . Cl H
【pro_molWeight】
379.881
【Inchi】
InChI=1S/C20H25NO4.ClH/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17;/h5-8,12,17,21H,9-11H2,1-4H3;1H
【InChIKey】
InChIKey=UIVLFUMJERMQPM-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)CC2c3cc(c(c(c3CCN2)OC)OC)OC.Cl
【MOL File】
ISOQUINOLINE, 1,2,3,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-5,6,7-TRIMETHOXY-1-[(4-METHOXYPHENYL)METHYL]-HCL.cml