67553-49-5
7-(2-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
Name7-(2-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
FormulaC17 H21 N5 O4 . Cl H
1Identification
【Name】
7-(2-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01938690
【English Synonyms】
【Formula】
C17 H21 N5 O4 . Cl H
【MolWeight】
395.845
【Inchi】
InChI=1S/C17H21N5O4.ClH/c1-20-15-14(16(25)21(2)17(20)26)22(10-19-15)8-7-18-6-5-11-3-4-12(23)13(24)9-11;/h3-4,9-10,18,23-24H,5-8H2,1-2H3;1H
【InChIKey】
InChIKey=AZIYIQQYEYYCNU-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCNCCc3ccc(c(c3)O)O.Cl
【MOL File】
7-(2-(2-(3,4-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE.cml