78280-45-2
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
Name7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
pro_formulaC18 H23 N5 O2 . Cl H
1Identification
【Name】
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01682234
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H23 N5 O2 . Cl H
【pro_molWeight】
377.874
【Inchi】
InChI=1S/C18H23N5O2.ClH/c1-13(2)23(14-8-6-5-7-9-14)11-10-22-12-19-16-15(22)17(24)21(4)18(25)20(16)3;/h5-9,12-13H,10-11H2,1-4H3;1H
【InChIKey】
InChIKey=KSELVJGCKFXDMF-UHFFFAOYSA-N
【SMILES】
CC(C)N(CCn1cnc2c1c(=O)n(c(=O)n2C)C)c3ccccc3.Cl
【MOL File】
7-(2-(ISOPROPYL-PHEN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE.cml