67553-50-8
7-(3-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)PROPYL)THEOPHYLLINE HYDROCHLORIDE
Name7-(3-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)PROPYL)THEOPHYLLINE HYDROCHLORIDE
pro_formulaC18 H23 N5 O4 . Cl H
1Identification
【Name】
7-(3-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)PROPYL)THEOPHYLLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01938691
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H23 N5 O4 . Cl H
【pro_molWeight】
409.872
【Inchi】
InChI=1S/C18H23N5O4.ClH/c1-21-16-15(17(26)22(2)18(21)27)23(11-20-16)9-3-7-19-8-6-12-4-5-13(24)14(25)10-12;/h4-5,10-11,19,24-25H,3,6-9H2,1-2H3;1H
【InChIKey】
InChIKey=AYZUCSCKUBVYRO-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNCCc3ccc(c(c3)O)O.Cl
【MOL File】
7-(3-(2-(3,4-DIHYDRO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:9
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-(3-(2-(3,4-DIHYDROXYPHENYL)ETHYLAMINO)PROPYL)THEOPHYLLINE HYDROCHLORIDE.cml