Basic information
- CAS
76391-72-5- Standard SMILES
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.COc1cc(C(O)C(O)CO)ccc1O- InChIKey
MOJMCCINTAYOHB-UHFFFAOYSA-N- Molecular formula
- C29H46N2O7
- Average molar mass
- 534.7 g/mol
- Monoisotopic mass
- 534.33050181
Names & identifiers
- Preferred name
- Dilavacol
- IUPAC
- 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
Names & synonyms
Dilavacol76391-72-5DTXSID809977623-Methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol (1/1)Benzeneacetic acid, alpha-((2-(diethylamino)ethyl)amino)-, 3-methylbutyl ester, mixt. with 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol
Database identifiers
- CAS
76391-72-5- PubChem CID
- 192076
- DTXSID
DTXSID80997762
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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