Basic information
- CAS
32838-28-1- Standard SMILES
CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O- InChIKey
CQONVBIGUJWUFE-UHFFFAOYSA-N- Molecular formula
- C16H29NO5
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.20457303
Overview
Butoctamide hydrogen succinate is a hemisuccinate, a secondary carboxamide and a dicarboxylic acid monoester.
Names & identifiers
- Preferred name
- 1-(3-((2-Ethylhexyl)amino)-1-methyl-3-oxopropyl) butanedioate
- IUPAC
- 4-[4-(2-ethylhexylamino)-4-oxobutan-2-yl]oxy-4-oxobutanoic acid
- English name
- Butoctamide
- Molecular formula
- C16H29NO5
- Molecular weight
- 315.41
Names & synonyms
butoctamide semisuccinate32838-28-1DTXSID4057716F58251NT6MDTXCID5031505RefChem:10541141-(3-((2-Ethylhexyl)amino)-1-methyl-3-oxopropyl) butanedioateButoctamide hydrogen succinateListomin SM-2HButoctamide hemisuccinateBUTOCTAMIDE SUCCINATE
Show more names
BAHSM 2HC12946M 2H (ester)N-2-Ethylhexyl-β-oxybutyramide semisuccinateN-(2-Ethylhexyl)-β-hydroxybutyramide semisuccinate
4-((4-((2-Ethylhexyl)amino)-4-oxobutan-2-yl)oxy)-4-oxobutanoic acidButoctamide semisuccinate [JAN]N-2-Ethylhexyl-beta-oxybutyramide semisuccinate4-({4-[(2-ethylhexyl)amino]-4-oxobutan-2-yl}oxy)-4-oxobutanoic acidButoctamide semisuccinate (JAN)ListominUNII-F58251NT6MListomin S (TN)
Database identifiers
- CAS
32838-28-1- PubChem CID
- 2486
- DTXSID
DTXSID4057716- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 46.5 ° · 46.5°
- Boiling point
- 454.95 °C · 454.95°C (rough estimate)
- Density
- 1.0612 · 1.0612 (rough estimate)
- refractive index
- 1.4909 · 1.4909 (estimate)
- pka
- 4.38 · 4.38±0.17(Predicted)
- FDA UNII
- 58251 NT6M · F58251NT6M
Chemistry & industry
Applications
DescriptionButoctamide hydrogensuccinate is a structurally novel hypnotic agent useful in the treatment of insomnia. Unlike other marketed hypnotics, butoctamide appears to increase REM sleep.
UsesButoctamide Hydrogen Succinate was an identified analyte in a non-target analysis of household dust and laundry dryer lint.
Suppliers5 total
上海遐瑞医药科技有限公司+86 21 61551611
上海陶术生物科技股份有限公司13564774135 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Butoctamide hydrogen succinate is a dicarboxylic acid monoester, a hemisuccinate and a secondary carboxamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…