Basic information
- CAS
36518-02-2- Standard SMILES
Cc1nc2ccccc2c(=O)n1CC(O)CO- InChIKey
NTGLQWGMESPVBV-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- Diproqualone
- IUPAC
- 3-(2,3-dihydroxypropyl)-2-methylquinazolin-4-one
- English name
- diproqualone
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
Diproqualone36518-02-2DiprocualonaDiproqualonumQY7HLH8V4LRefChem:1083818253-081-13-(2,3-dihydroxypropyl)-2-methylquinazolin-4-oneDiproqualone, (+)-L2Y2CV3EW73-(2,3-Dihydroxypropyl)-2-methyl-3,4-dihydroquinazolin-4-one3-(2,3-Dihydroxypropyl)-2-methyl-4(3H)-quinazolinone
Show more names
4(3H)-Quinazolinone, 3-(2,3-dihydroxypropyl)-2-methyl-
46800-89-94(3H)-Quinazolinone, 3-(2,3-dihydroxypropyl)-2-methyl-, (+)-Diproqualone [INN:DCF]UNII-QY7HLH8V4LDiproqualonum [INN-Latin]Diprocualona [INN-Spanish]Diproqualon3-(2,3-dihydroxypropyl)-2-methylquinazolin-4(3h)-one
Database identifiers
- CAS
36518-02-2、46800-89-9- PubChem CID
- 64112
- DTXSID
DTXSID30865821- ChEMBL
CHEMBL2106200- UNII
- 52GGM7X5IG、L2Y2CV3EW7、QY7HLH8V4L
- EC Number
- 253-081-1
- Nikkaji
- J19.818H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 142 · 142-145 °C(Solv: ethanol (64-17-5))
- Boiling point
- 478.5 · 478.5±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; Ethanol: 0.5 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- pka
- 13.65 · 13.65±0.20(Predicted)
- FDA UNII
- 7 HLH8V4L · QY7HLH8V4L
Chemistry & industry
Applications
UsesDiproqualone is a derivative of quinazolinone (491-36-1) which shows properties of sedation, anxiolytic, antihistamine and analgesic activity.
Suppliers7 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Related reactions
0 records
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Compound notes
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