Sodium ionophore V
Basic information
- CAS
129880-73-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c(OCC(=O)N(C2CCCCC2)C2CCCCC2)c1- InChIKey
HSRJLFJSCKIVPQ-UHFFFAOYSA-N- Molecular formula
- C53H88N2O6
- Average molar mass
- 849.3 g/mol
- Monoisotopic mass
- 848.66423853
Names & identifiers
- Preferred name
- Sodium ionophore V
- IUPAC
- [3,4-bis[2-(dicyclohexylamino)-2-oxoethoxy]phenyl]methyl octadecanoate
- English name
- 4-Octadecanoyloxymethyl-N,N,N',N'-tetracyclohexyl-1,2-phenylenedioxydiacetamide
- Molecular formula
- C53H88N2O6
- Molecular weight
- 849.28
Names & synonyms
129880-73-5Sodium ionophore VDTXSID40412421RefChem:380737DTXCID903632723,4-Bis(2-(dicyclohexylamino)-2-oxoethoxy)benzyl stearate[3,4-bis[2-(dicyclohexylamino)-2-oxoethoxy]phenyl]methyl octadecanoate4-Octadecanoyloxymethyl-N,N,N',N'-tetracyclohexyl-1,2-phenylenedioxydiacetamide{3,4-bis[(dicyclohexylcarbamoyl)methoxy]phenyl}methyl octadecanoate{3,4-Bis[2-(dicyclohexylamino)-2-oxoethoxy]phenyl}methyl octadecanoateSCHEMBL597901SCHEMBL30388100
Show more names
ETH 4120FLUKABRAND SELECTOPHORE SODIUM &SODIUM IONOPHORE V, 50 MG IN 0.5 ML HEPT ANE3,4-Bis[2-(dicyclohexylamino)-2-oxoethoxy]phenyl]methyl octadecanoateOctadecanoic acid, [3,4-bis[2-(dicyclohexylamino)-2-oxoethoxy]phenyl]methyl esterETH 4120, 4-Octadecanoyloxymethyl-N,N,Nμ,Nμ-tetracyclohexyl-1,2-phenylenedioxydiacetamide(4-(N-cyclohexyl-2-(2-(2-(dicyclohexylaMino)-2-oxoethoxy)phenoxy)acetaMido)cyclohexyl)Methyl stearate
DB-365713Sodium ionophore V, Selectophore(TM), function tested
Database identifiers
- CAS
129880-73-5- PubChem CID
- 5239353
- DTXSID
DTXSID40412421- Nikkaji
- J485.887E
Properties
Computed structural properties
- XLogP
- 16.3
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 29
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- Boiling point
- 884.446 · 884.446±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.066 · 1.066±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- -4 °C · -4 °C
- storage temp.
- 2 · 2-8°C
- pka
- -1.025 · -1.025±0.20(predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P261-P273-P301+P310-P331-P501
- Hazard Codes
- F,Xn,N
- Risk Statements
- 11 · 11-38-50/53-65-67
- Safety Statements
- 16 · 16-33-60-61-62
- RIDADR
- 1206 · UN 1206 3/PG 2
- WGK Germany
- 1 · 1
- F
- 10 · 10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 1
- ridadr
- UN 1206 3/PG 2
- risk_code
- 11-38-50/53-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 16-33-60-61-62
- Hazard statements
- H225-H304-H315-H336-H410
- Precautionary statements
- P210-P261-P273-P301+P310-P331-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…