Basic information
- CAS
3254-93-1- Standard SMILES
O=C1NCNC1(c1ccccc1)c1ccccc1- InChIKey
FEJIIZAOQRTGPC-UHFFFAOYSA-N- Molecular formula
- C15H14N2O
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.11061307
Overview
Doxenitoin is a small molecule drug. Doxenitoin has a monoisotopic molecular weight of 238.11 Da.
Names & identifiers
- Preferred name
- Doxenitoin
- IUPAC
- 5,5-diphenylimidazolidin-4-one
- English name
- doxenitoin
- Molecular formula
- C15H14N2O
- Molecular weight
- 238.289
Names & synonyms
DoxenitoinDoxenitoinaDoxenitoineGliorDoxenitoin [INN:DCF]SKF 2599Doxenitoinum5,5-Diphenyl-4-imidazolidinoneDoxenitoine [INN-French]Doxenitoinum [INN-Latin]Doxenitoina [INN-Spanish]4-IMIDAZOLIDINONE, 5,5-DIPHENYL-
Show more names
LG-1doxenitoin USP/EP/BPPhenytoin Impurity 18Phenytoin Sodium impurity 45,5-Diphenylimidazolidin-4-one
UNII-0K2ALD8B7KSKF-2599EINECS 221-851-60K2ALD8B7KBRN 0018626DOXENITOIN [MI]DOXENITOIN [INN]5,5-Diphenyl-tetrahydroglyoxaline-4-one [French]
Database identifiers
- CAS
3254-93-1- PubChem CID
- 18622
- DTXSID
DTXSID70186249- ChEMBL
CHEMBL92974- UNII
- 0K2ALD8B7K
- EC Number
- 221-851-6
- Nikkaji
- J7.700C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 183 ° · 183° (Goodman); mp 185.5-186.5° (Biltz)
- Boiling point
- 380.88 °C · 380.88°C (rough estimate)
- Density
- 1.0848 · 1.0848 (rough estimate)
- refractive index
- 1.5906 · 1.5906 (estimate)
- pka
- 14.77 · 14.77±0.40(Predicted)
- FDA UNII
- 0 K2ALD8B7K · 0K2ALD8B7K
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 oral · LD50 oral in mouse: 2400mg/kg
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
- ridadr
- 3249
- Toxicity
- LD50 oral in mouse: 2400mg/kg
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Suppliers19 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
杭州畅存生物科技有限公司0571-; 13567100326 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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