UNII-6198URY27G
4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: H-1270|Phenethyl alcohol, alpha-(p-(2-(diethylamino)ethoxy)phenyl)-beta-ethyl-alpha-(p-hydroxyphenyl)-p-methoxy-, citrate|4-[1-{4-[2-(diethylamino)ethoxy]phenyl}-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol 2-hydroxypropane-1,2,3-tricarboxylate(1:1)|alpha-(4-(2-(Diethylamino)ethoxy)phenyl)-beta-ethyl-alpha-(4-hydroxyphenyl)-4-methoxy benzeneethanol citrate (1:1)|.ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY BENZENEETHANOL CITRATE (1:1)|2-Hydroxypropane-1,2,3-tricarboxylic acid--4-[1-{4-[2-(diethylamino)ethoxy]phenyl}-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol (1/1)|4-[1-[4-(2-diethylaminoethyloxy)phenyl]-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid|4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol,2-hydroxypropane-1,2,3-tricarboxylic acid|BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)|BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
| Molecular Formula | C35H45NO11 |
|---|---|
| Molecular Weight | 655.29926 g/mol |
| LogP | 4.3026 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 655.29926 |
| Monoisotopic Mass | 655.29926 |
| Heavy Atoms | 47 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 399-88-2 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)O)(C3=CC=C(C=C3)OCCN(CC)CC)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | DFDFYJOAECKIGX-UHFFFAOYSA-N |
Product Overview
UNII-6198URY27G (CAS 399-88-2), with molecular formula C35H45NO11 and molecular weight 655.29926 g/mol. IUPAC: 4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid.