102367-55-5
7-(2,3-DIHYDROXYPROPYL)-8-(2-(3-OXO-2-INDOLINYLENE)HYDRAZINO)THEOPHYLLINE
Name7-(2,3-DIHYDROXYPROPYL)-8-(2-(3-OXO-2-INDOLINYLENE)HYDRAZINO)THEOPHYLLINE
1Identification
【Name】
7-(2,3-DIHYDROXYPROPYL)-8-(2-(3-OXO-2-INDOLINYLENE)HYDRAZINO)THEOPHYLLINE
【CAS】
【MDL】
MFCD01682286
【English Synonyms】
【Formula】
C18 H19 N7 O5
【MolWeight】
413.392
【Inchi】
InChI=1S/C18H19N7O5/c1-23-15-12(16(29)24(2)18(23)30)25(7-9(27)8-26)17(20-15)22-21-14-13(28)10-5-3-4-6-11(10)19-14/h3-6,9,26-27H,7-8H2,1-2H3,(H,20,22)(H,19,21,28)
【InChIKey】
InChIKey=RMXRPDONQAQPEF-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)N/N=C/3\C(=O)c4ccccc4N3)CC(CO)O
【MOL File】
7-(2,3-DIHYDROXYPROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2,3-DIHYDROXYPROPYL)-8-(2-(3-OXO-2-INDOLINYLENE)HYDRAZINO)THEOPHYLLINE.cml