1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
Basic information
- CAS
152271-10-8- Standard SMILES
CCCOCc1cc(C(=O)CC)ccc1OCC(O)CN1CCCC1.CCCOCc1cc(C(=O)CC)ccc1OCC(O)CN1CCCC1.O=C(O)/C=C/C(=O)O- InChIKey
CUDVCTHRAMFFPA-WXXKFALUSA-N- Molecular formula
- C44H66N2O12
- Average molar mass
- 815 g/mol
- Monoisotopic mass
- 814.46157554
Names & identifiers
- Preferred name
- 1-Propanone, 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]propan-1-one)
- English name
- 1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
- Molecular formula
- 2C20H31NO4.C4H4O4
- Molecular weight
- 815.007
Names & synonyms
152271-10-81-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)RefChem:1056943(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-, (E)-2-butenedioa1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
Database identifiers
- CAS
152271-10-8- PubChem CID
- 6448833
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 24
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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