119324-85-5
(R)-7-BETA-HYDROXYETHYL-8-(1'-HYDROXYBUT-2'-YL)AMINOTHEOPHYLLINE
Name(R)-7-BETA-HYDROXYETHYL-8-(1'-HYDROXYBUT-2'-YL)AMINOTHEOPHYLLINE
1Identification
【Name】
(R)-7-BETA-HYDROXYETHYL-8-(1'-HYDROXYBUT-2'-YL)AMINOTHEOPHYLLINE
【CAS】
【MDL】
MFCD01694310
【English Synonyms】
【Formula】
C13 H21 N5 O4
【MolWeight】
311.34
【Inchi】
InChI=1S/C13H21N5O4/c1-4-8(7-20)14-12-15-10-9(18(12)5-6-19)11(21)17(3)13(22)16(10)2/h8,19-20H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
【InChIKey】
InChIKey=GPEWINMGNPPOCM-MRVPVSSYSA-N
【SMILES】
CC[C@H](CO)Nc1nc2c(n1CCO)c(=O)n(c(=O)n2C)C
【MOL File】
(R)-7-BETA-HYDROXYET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-7-BETA-HYDROXYETHYL-8-(1'-HYDROXYBUT-2'-YL)AMINOTHEOPHYLLINE.cml