Valrocemide
Basic information
- CAS
92262-58-3- Standard SMILES
CCCC(CCC)C(=O)NCC(N)=O- InChIKey
RALGCAOVRLYSMA-UHFFFAOYSA-N- Molecular formula
- C10H20N2O2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.15247789
Overview
structure in first source
Names & identifiers
- Preferred name
- Valrocemide
- IUPAC
- N-(2-amino-2-oxoethyl)-2-propylpentanamide
- English name
- VALROCEMIDE
- Molecular formula
- C10H20N2O2
- Molecular weight
- 200.28
Names & synonyms
Valrocemide92262-58-3N-(2-amino-2-oxoethyl)-2-propylpentanamideN-ValproylglycinamideTV-1901Vpgd cpdValrocemidaN-(carbamoylmethyl)-2-propylpentanamide1C7GO6OW7LTV 1901N-(Carbamoylmethyl)-2-propylvaleramideDTXSID70238939
Show more names
Valrocemide, >98%Valrocemide(TV1901)Valrocemide (TV1901,VGD))Valrocemide, 10 mM in DMSOValrocemide,Inhibitor,TV-1901,inhibit,TV 1901
PENTANAMIDE, N-(2-AMINO-2-OXOETHYL)-2-PROPYLvalrocemidumRefChem:901606DTXCID70161430MFCD00870963Pentanamide, N-(2-amino-2-oxoethyl)-2-propyl-TV1901Valproyl glycinamide
Database identifiers
- CAS
92262-58-3- PubChem CID
- 6918293
- DTXSID
DTXSID70238939- ChEMBL
CHEMBL471638- UNII
- 1C7GO6OW7L
- EC Number
- 618-831-8
- Nikkaji
- J658.572H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 417.5 · 417.5±28.0 °C(Predicted)
- Density
- 0.997 · 0.997
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/mL; · DMF: 30mg/mL; DMSO: 30mg/mL; DMSO:PBS (pH 7.2) (1:4): 0.2mg/mL; Ethanol: 25mg/mL
- form
- A solid
- pka
- 15.23 · 15.23±0.46(Predicted)
- color
- White to off-white
- FDA UNII
- 1 C7GO6OW7L · 1C7GO6OW7L
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAntiepileptic; anticonvulsant.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…