Basic information
- CAS
35263-93-5- Standard SMILES
CCC(c1ccc(OC)cc1)C(O)(c1ccccc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
CMWDHRAFKIMMGG-UHFFFAOYSA-N- Molecular formula
- C35H45NO10
- Average molar mass
- 639.7 g/mol
- Monoisotopic mass
- 639.30434663
Names & identifiers
- Preferred name
- alpha-(4-(2-(Diethylamino)ethoxy)phenyl)-beta-ethyl-4-methoxy-alpha-phenyl benzeneethanol citrate (1:1)
- IUPAC
- 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylbutan-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
35263-93-5N6220RDT93alpha-(4-(2-(Diethylamino)ethoxy)phenyl)-beta-ethyl-4-methoxy-alpha-phenyl benzeneethanol citrate (1:1)Phenethyl alcohol, alpha-(p-(2-(diethylamino)ethoxy)phenyl)-beta-ethyl-p-methoxy-alpha-phenyl-, citrate (1:1)H-1274UNII-N6220RDT93SCHEMBL17164679DTXSID50956705Q27284600.ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-4-METHOXY-.ALPHA.-PHENYL BENZENEETHANOL CITRATE (1:1)2-Hydroxypropane-1,2,3-tricarboxylic acid--1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylbutan-1-ol (1/1)BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-4-METHOXY-.ALPHA.-PHENYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Show more names
BENZENEETHANOL, .ALPHA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-.BETA.-ETHYL-4-METHOXY-.ALPHA.-PHENYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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