51920-73-1
7-(3-(N-METHYLNICOTINYLOXYETHYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
Name7-(3-(N-METHYLNICOTINYLOXYETHYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
1Identification
【Name】
7-(3-(N-METHYLNICOTINYLOXYETHYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD01682264
【English Synonyms】
【Formula】
C19 H24 N6 O5
【MolWeight】
416.436
【Inchi】
InChI=1S/C19H24N6O5/c1-22(7-8-30-18(28)13-5-4-6-20-9-13)10-14(26)11-25-12-21-16-15(25)17(27)24(3)19(29)23(16)2/h4-6,9,12,14,26H,7-8,10-11H2,1-3H3
【InChIKey】
InChIKey=FCWYHNPIADNOEV-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(C)CCOC(=O)c3cccnc3)O
【MOL File】
7-(3-(N-METHYLNICOTI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(3-(N-METHYLNICOTINYLOXYETHYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE.cml