Basic information
- CAS
23757-42-8- Standard SMILES
NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F- InChIKey
KYWMWUUMCDZISK-UHFFFAOYSA-N- Molecular formula
- C7H3F12N3
- Average molar mass
- 357.1 g/mol
- Monoisotopic mass
- 357.0135351
Overview
Midaflur is a small molecule drug. Midaflur has a monoisotopic molecular weight of 357.01 Da.
Names & identifiers
- Preferred name
- Midaflur
- IUPAC
- 2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-amine
- English name
- Midaflur
- Molecular formula
- C7H3F12N3
- Molecular weight
- 357.1
Names & synonyms
MIDAFLURMidaflurum23757-42-8EXP 3384-Amino-2,2,5,5-tetrakis(trifluoromethyl)-3-imidazolineEXP-338840CTL676L1H-Imidazol-4-amine, 2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)-2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-amine3-IMIDAZOLINE, 4-AMINO-2,2,5,5-TETRAKIS(TRIFLUOROMETHYL)-DTXSID50178425RefChem:925880
Show more names
DTXCID80100916Midaflur [USAN:INN]Midaflurum [INN-Latin]2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-amineUNII-840CTL676L5-Amino-2,2,4,4-tetrakis(trifluoromethyl)imidazolidineMIDAFLUR [USAN]Midaflur (USAN/INN)
Database identifiers
- CAS
23757-42-8- PubChem CID
- 32068
- DTXSID
DTXSID50178425- ChEMBL
CHEMBL2104707- UNII
- 840CTL676L
- Nikkaji
- J20.369F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Experimental & physicochemical properties
LogP3.35
Physicochemical properties
- Melting point
- 160.05 °C · 160.05°C
- Boiling point
- 189.8 · 189.8±50.0 °C(Predicted)
- Density
- 1.676 · 1.6760 (estimate)
- pka
- 1.74 · 1.74±0.60(Predicted)
- form
- Solid
- FDA UNII
- 840 CTL676L · 840CTL676L
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 19 mg/kg 27ZQAG -,265,72
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
- Toxicity
- LD50 orl-rat: 19 mg/kg 27ZQAG -,265,72
Chemistry & industry
Applications
UsesSedative-hypnotic.
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…