52986-17-1
7-(2-((3,4-DIMETHOXYPHENETHYL)METHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
Name7-(2-((3,4-DIMETHOXYPHENETHYL)METHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
FormulaC20 H27 N5 O4 . Cl H
1Identification
【Name】
7-(2-((3,4-DIMETHOXYPHENETHYL)METHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD01682291
【English Synonyms】
【Formula】
C20 H27 N5 O4 . Cl H
【MolWeight】
437.925
【Inchi】
InChI=1S/C20H27N5O4.ClH/c1-22(9-8-14-6-7-15(28-4)16(12-14)29-5)10-11-25-13-21-18-17(25)19(26)24(3)20(27)23(18)2;/h6-7,12-13H,8-11H2,1-5H3;1H
【InChIKey】
InChIKey=TWARVCJXXJWMBF-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN(C)CCc3ccc(c(c3)OC)OC.Cl
【MOL File】
7-(2-((3,4-DIMETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-((3,4-DIMETHOXYPHENETHYL)METHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE.cml