Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
Basic information
- CAS
152271-08-4- Standard SMILES
CCCOCc1cc(C(C)=O)ccc1OCC(O)CN1CCCC1.CCCOCc1cc(C(C)=O)ccc1OCC(O)CN1CCCC1.O=C(O)/C=C/C(=O)O- InChIKey
CUMYEFFTCJFKKG-WLHGVMLRSA-N- Molecular formula
- C42H62N2O12
- Average molar mass
- 786.9 g/mol
- Monoisotopic mass
- 786.43027542
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;bis(1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone)
- English name
- but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone
- Molecular formula
- C23H33NO8
- Molecular weight
- 451.52
Names & synonyms
152271-08-4Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)RefChem:1084528(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanonebut-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone
Database identifiers
- CAS
152271-08-4- PubChem CID
- 6448832
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 22
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 489
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Compound notes
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