76975-06-9
2-(3-(N-ETHYL-2-HYDROXYETHYL)AMINOACETAMIDO-2,4,6-TRIIODOBENZYL)BUTYRIC ACID
Name2-(3-(N-ETHYL-2-HYDROXYETHYL)AMINOACETAMIDO-2,4,6-TRIIODOBENZYL)BUTYRIC ACID
pro_formulaC17 H23 I3 N2 O4
1Identification
【Name】
2-(3-(N-ETHYL-2-HYDROXYETHYL)AMINOACETAMIDO-2,4,6-TRIIODOBENZYL)BUTYRIC ACID
【CAS】
【MDL】
MFCD01722154
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H23 I3 N2 O4
【pro_molWeight】
700.079
【Inchi】
InChI=1S/C17H23I3N2O4/c1-3-10(17(25)26)7-11-12(18)8-13(19)16(15(11)20)21-14(24)9-22(4-2)5-6-23/h8,10,23H,3-7,9H2,1-2H3,(H,21,24)(H,25,26)
【InChIKey】
InChIKey=DWBKQIMYWZACBK-UHFFFAOYSA-N
【SMILES】
CCC(Cc1c(cc(c(c1I)NC(=O)CN(CC)CCO)I)I)C(=O)O
【MOL File】
2-(3-(N-ETHYL-2-HYDR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3-(N-ETHYL-2-HYDROXYETHYL)AMINOACETAMIDO-2,4,6-TRIIODOBENZYL)BUTYRIC ACID.cml