17656-51-8
5-(ALPHA-AMINOVERATRYL)-7-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLINE DIHYDROCHLORIDE
Name5-(ALPHA-AMINOVERATRYL)-7-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLINE DIHYDROCHLORIDE
FormulaC20 H20 N2 O4 . 2 Cl H
1Identification
【Name】
5-(ALPHA-AMINOVERATRYL)-7-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01730003
【English Synonyms】
【Formula】
C20 H20 N2 O4 . 2 Cl H
【MolWeight】
425.31
【Inchi】
InChI=1S/C20H20N2O4.2ClH/c1-11-6-13-8-17-18(26-10-25-17)9-14(13)20(22-11)19(21)12-4-5-15(23-2)16(7-12)24-3;;/h4-9,19H,10,21H2,1-3H3;2*1H
【InChIKey】
InChIKey=LYKSVCCEJZCEDC-UHFFFAOYSA-N
【SMILES】
Cc1cc2cc3c(cc2c(n1)C(c4ccc(c(c4)OC)OC)N)OCO3.Cl.Cl
【MOL File】
5-(ALPHA-AMINOVERATR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(ALPHA-AMINOVERATRYL)-7-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLINE DIHYDROCHLORIDE.cml