Basic information
- CAS
127627-21-8- Standard SMILES
CCCCOCc1cc(C(=O)CC)ccc1OCC(O)CNC(C)C.O=C(O)/C=C/C(=O)O- InChIKey
KZLPTAVHELNHIS-WLHGVMLRSA-N- Molecular formula
- C24H37NO8
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.25191714
Names & identifiers
- Preferred name
- 1-Propanone, 1-(3-(butoxymethyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;1-[3-(butoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
Names & synonyms
1-Propanone, 1-(3-(butoxymethyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)127627-21-8RefChem:10569391-(3-(Butoxymethyl)-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)
Database identifiers
- CAS
127627-21-8- PubChem CID
- 6449685
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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