Basic information
- CAS
35263-96-8- Standard SMILES
CCC(c1ccc(OC)cc1)C(O)(c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
DFDFYJOAECKIGX-UHFFFAOYSA-N- Molecular formula
- C35H45NO11
- Average molar mass
- 655.7 g/mol
- Monoisotopic mass
- 655.29926125
Names & identifiers
- Preferred name
- Phenethyl alcohol, alpha-(p-(2-(diethylamino)ethoxy)phenyl)-beta-ethyl-alpha-(p-hydroxyphenyl)-p-methoxy-, citrate
- IUPAC
- 4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-1-hydroxy-2-(4-methoxyphenyl)butyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
35263-96-8Phenethyl alcohol, alpha-(p-(2-(diethylamino)ethoxy)phenyl)-beta-ethyl-alpha-(p-hydroxyphenyl)-p-methoxy-, citrate6198URY27Galpha-(4-(2-(Diethylamino)ethoxy)phenyl)-beta-ethyl-alpha-(4-hydroxyphenyl)-4-methoxy benzeneethanol citrate (1:1)H-1270UNII-6198URY27GSCHEMBL17164707DTXSID70956707Q27263324.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)BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Show more names
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-.ALPHA.-(4-HYDROXYPHENYL)-4-METHOXY-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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