Troquidazole
Basic information
- CAS
108001-60-1- Standard SMILES
NC(=Nc1c([N+](=O)[O-])cnc2ccccc12)N1CCOCC1- InChIKey
UUJSXEHRMRPYEX-UHFFFAOYSA-N- Molecular formula
- C14H15N5O3
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.11748936
Overview
Troquidazole is a small molecule drug. Troquidazole has a monoisotopic molecular weight of 301.12 Da.
Names & identifiers
- Preferred name
- Troquidazole
- IUPAC
- N'-(3-nitroquinolin-4-yl)morpholine-4-carboximidamide
- English name
- Troquidazole
- Molecular formula
- C14H15N5O3
- Molecular weight
- 301.3
Names & synonyms
TroquidazoleTroquidazolTroquidazole [INN]TroquidazolumTroquidazol [INN-Spanish]Troquidazolum [INN-Latin]UNII-41X4FOR20241X4FOR202N-(3-Nitro-4-quinolinyl)-4-morpholinecarboximidamide4-Morpholinecarboximidamide, N-(3-nitro-4-quinolinyl)-DTXSID20148357Troquidazol (INN-Spanish)
Show more names
N1-(3-Nitroquinolin-4-yl)-4-morpholinecarboxamidine
Troquidazolum (INN-Latin)N-(3-nitro-4-quinoline)morpholino-4-carboxamidineRefChem:192271DTXCID7070848108001-60-1EGIS-4136N'-(3-nitroquinolin-4-yl)morpholine-4-carboximidamideEgis 4136
Database identifiers
- CAS
108001-60-1- PubChem CID
- 65903
- DTXSID
DTXSID20148357- ChEMBL
CHEMBL2009734- UNII
- 41X4FOR202
- Nikkaji
- J363.095A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 228 · 228-230 °C(Solv: ethanol (64-17-5))
- Boiling point
- 471.9 · 471.9±55.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.20(Predicted)
- FDA UNII
- 41 X4FOR202 · 41X4FOR202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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