Letrazuril
Basic information
- CAS
103337-74-2- Standard SMILES
N#CC(c1ccc(F)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl- InChIKey
XQKYUBTUOHHNDV-UHFFFAOYSA-N- Molecular formula
- C17H9Cl2FN4O2
- Average molar mass
- 391.2 g/mol
- Monoisotopic mass
- 390.0086591
Overview
Letrazuril has been used in trials studying the treatment of HIV Infections and Cryptosporidiosis.
Names & identifiers
- Preferred name
- Letrazuril
- IUPAC
- 2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile
- English name
- Letrazuril
- Molecular formula
- C17H9Cl2FN4O2
- Molecular weight
- 391.18
Names & synonyms
LETRAZURIL103337-74-2LetrazuriloLetrazurilumU8736VCB22RefChem:1529572-(2,6-dichloro-4-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)phenyl)-2-(4-fluorophenyl)acetonitrileLetrazuril [INN]2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)-2-(4-fluorophenyl)acetonitrile2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrileMFCD00867212C17H9Cl2FN4O2
Show more names
Benzeneacetonitrile, 2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-α-(4-fluorophenyl)-
UNII-U8736VCB22Letrazurilum [INN-Latin]Letrazurilo [INN-Spanish]2-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]-2-(4-fluorophenyl)acetonitrileLETRAZURIL [MART.]SCHEMBL466345orb1707081CHEMBL2104819
Database identifiers
- CAS
103337-74-2- PubChem CID
- 59745
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 165 mg/mL · DMSO : ≥ 165 mg/mL (421.80 mM)
- form
- Solid
- pka
- 5.89 · 5.89±0.20(Predicted)
- color
- White to off-white
- FDA UNII
- 8736 VCB22 · U8736VCB22
- 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
UsesLetrazuril is an anti-HIV agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…