52986-16-0
7-(2-(3,4-DIMETHOXYPHENETHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
Name7-(2-(3,4-DIMETHOXYPHENETHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
FormulaC19 H25 N5 O4 . Cl H
1Identification
【Name】
7-(2-(3,4-DIMETHOXYPHENETHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD01682289
【English Synonyms】
【Formula】
C19 H25 N5 O4 . Cl H
【MolWeight】
423.898
【Inchi】
InChI=1S/C19H25N5O4.ClH/c1-22-17-16(18(25)23(2)19(22)26)24(12-21-17)10-9-20-8-7-13-5-6-14(27-3)15(11-13)28-4;/h5-6,11-12,20H,7-10H2,1-4H3;1H
【InChIKey】
InChIKey=PJYAIMHIYDAVNJ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCNCCc3ccc(c(c3)OC)OC.Cl
【MOL File】
7-(2-(3,4-DIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-(3,4-DIMETHOXYPHENETHYLAMINO)ETHYL)THEOPHYLLINE MONOHYDROCHLORIDE.cml