Basic information
- CAS
35710-57-7- Standard SMILES
N=C(N=O)c1[nH][nH]c2ccccc2n(Cc2ccccc2)c1O- InChIKey
GAECBAVHFVGHLK-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.12257474
Names & identifiers
- Preferred name
- Trizoxime
- IUPAC
- 5-benzyl-4-hydroxy-N-oxo-1,2-dihydro-1,2,5-benzotriazepine-3-carboximidamide
- English name
- Trizoxime
- Molecular formula
- C16H15N5O2
- Molecular weight
- 309.32
Names & synonyms
Trizoxime35710-57-7Z41970Z67W5-Benzyl-4,5-dihydro-4-oxo-1H-1,2,5-benzotriazepine-3-carboxamidoxime5-benzyl-4-hydroxy-N-oxo-1,2-dihydro-1,2,5-benzotriazepine-3-carboximidamideTrizoximum1H-1,2,5-Benzotriazepine-3-carboxamidoxime, 4,5-dihydro-5-benzyl-4-oxo-Trizoxime [INN:DCF]trizoximTrizoximaUNII-Z41970Z67WTRIZOXIME [INN]
Show more names
5-Benzyl-4,5-dihydro-4-oxo-1H-1,2,5-benzotriazepine-3-carboxamide oxime1H-1,2,5-Benzotriazepine-3-carboximidamide, 4,5-dihydro-N-hydroxy-4-oxo-5-(phenylmethyl)-
orb2815486CHEMBL2104554SCHEMBL29385262DTXSID701043325NS00123181T202220Q27294964
Database identifiers
- CAS
35710-57-7- PubChem CID
- 3047751
- DTXSID
DTXSID701043325- ChEMBL
CHEMBL2104554- UNII
- Z41970Z67W
- Nikkaji
- J19.687H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 517 · 517.0±43.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.69(Predicted)
- FDA UNII
- 41970 Z67W · Z41970Z67W
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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