28345-97-3
7-(2,3-DIHYDROXYPROPYL)-8-(3-PYRIDYLMETHYL)THEOPHYLLINE
Name7-(2,3-DIHYDROXYPROPYL)-8-(3-PYRIDYLMETHYL)THEOPHYLLINE
1Identification
【Name】
7-(2,3-DIHYDROXYPROPYL)-8-(3-PYRIDYLMETHYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD01682287
【English Synonyms】
【Formula】
C16 H19 N5 O4
【MolWeight】
345.357
【Inchi】
InChI=1S/C16H19N5O4/c1-19-14-13(15(24)20(2)16(19)25)21(8-11(23)9-22)12(18-14)6-10-4-3-5-17-7-10/h3-5,7,11,22-23H,6,8-9H2,1-2H3
【InChIKey】
InChIKey=AGBXEAQAOHJACV-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cc3cccnc3)CC(CO)O
【MOL File】
7-(2,3-DIHYDROXYPROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2,3-DIHYDROXYPROPYL)-8-(3-PYRIDYLMETHYL)THEOPHYLLINE.cml