105319-55-9
8-(BENZYLAMINO)-7-(2-HYDROXY-3-(4-METHYL-1-PIPERAZINYL)PROPYL)THEOPHYLLINE DIHYDROCHLORIDE
Name8-(BENZYLAMINO)-7-(2-HYDROXY-3-(4-METHYL-1-PIPERAZINYL)PROPYL)THEOPHYLLINE DIHYDROCHLORIDE
FormulaC22 H31 N7 O3 . 2 Cl H
1Identification
【Name】
8-(BENZYLAMINO)-7-(2-HYDROXY-3-(4-METHYL-1-PIPERAZINYL)PROPYL)THEOPHYLLINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01682350
【English Synonyms】
【Formula】
C22 H31 N7 O3 . 2 Cl H
【MolWeight】
514.455
【Inchi】
InChI=1S/C22H31N7O3.2ClH/c1-25-9-11-28(12-10-25)14-17(30)15-29-18-19(26(2)22(32)27(3)20(18)31)24-21(29)23-13-16-7-5-4-6-8-16;;/h4-8,17,30H,9-15H2,1-3H3,(H,23,24);2*1H
【InChIKey】
InChIKey=PIASCRYKCNEXDW-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCc3ccccc3)CC(CN4CCN(CC4)C)O.Cl.Cl
【MOL File】
8-(BENZYLAMINO)-7-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(BENZYLAMINO)-7-(2-HYDROXY-3-(4-METHYL-1-PIPERAZINYL)PROPYL)THEOPHYLLINE DIHYDROCHLORIDE.cml