Lofentanil Oxalate
Basic information
- CAS
61380-41-4- Standard SMILES
CCC(=O)N(c1ccccc1)[C@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@@H]1C.O=C(O)C(=O)O- InChIKey
CBKLICUQYUTWQL-XWGBWKJCSA-N- Molecular formula
- C27H34N2O7
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.23660143
Overview
See also: Lofentanil (has active moiety).
Names & identifiers
- Preferred name
- Lofentanil Oxalate
- IUPAC
- methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;oxalic acid
- English name
- cis-(-)-4-(methoxycarbonyl)-3-methyl-1-phenethyl-4-(N-phenylpropionylamino)piperidinium hydrogen oxalate
- Molecular formula
- C25H32N2O3.C2H2O4
- Molecular weight
- 498.57
Names & synonyms
Lofentanil oxalate61380-41-46C1599T3OQR 34,995R-34995RefChem:153942262-750-7Lofentanil oxalate [USAN]Lofentanil oxalate (USAN)(-)-Methyl cis-3-methyl-1-phenethyl-4-(N-phenylpropionamido)isonipecotate oxalate (1:1)methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;oxalic acid4-Piperidinecarboxylic acid, 3-methyl-4-((1-oxopropyl)phenylamino)-1-(2-phenylethyl)-, methyl ester, cis, (-)-, ethanedioate (1:1)
Show more names
LofentaniloxalatUNII-6C1599T3OQEINECS 262-750-7Lofentanil Oxalate (1.0mg/ml in Acetonitrile)cis-(-)-4-(Methoxycarbonyl)-3-methyl-1-phenethyl-4-(N-phenylpropionylamino)piperidinium hydrogen oxalateLOFENTANIL OXALATE [MI]SCHEMBL30637157DTXSID10976924
Database identifiers
- CAS
61380-41-4- PubChem CID
- 65498
- DTXSID
DTXSID10976924
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Melting point
- 177 ° · 177°
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- FDA UNII
- 6 C1599T3OQ · 6C1599T3OQ
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Applications
UsesAnalgesic (narcotic). Controlled Substance.
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Related reactions
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Compound notes
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