Basic information
- CAS
29053-27-8- Standard SMILES
CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1- InChIKey
OJGJQQNLRVNIKE-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO3
- Average molar mass
- 239.65 g/mol
- Monoisotopic mass
- 239.03492086
Overview
2-methyl analog of seclazone; structure
Names & identifiers
- Preferred name
- Meseclazone
- IUPAC
- 7-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
- English name
- Meseclazone
- Molecular formula
- C11H10ClNO3
- Molecular weight
- 239.65
Names & synonyms
Meseclazone29053-27-8MeseclazonaW-2395Meseclazonum51KFT71THGNSC-297623DTXSID708654667-Chloro-3,3a-dihydro-2-methyl-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one2H,9H-Isoxazolo(3,2-b)(1,3)benzoxazin-9-one, 7-chloro-3,3a-dihydro-2-methyl-2H,9H-Isoxazolo[3,2-b][1,3]benzoxazin-9-one, 7-chloro-3,3a-dihydro-2-methyl-RefChem:925532
Show more names
7-Chloro-3,3a-dihydro-2-methyl-2H,9H-isoxazolo[3,2-b][1,3]benzoxazin-9-one3,3a-Dihydro-7-chloro-2-methyl-2H,9H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
DTXCID60813870NSC297623W 23957-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one2H,9H-ISOXAZOLO(3,2-b)(1,3)BENZOXAZIN-9-ONE, 3,3a-DIHYDRO-7-CHLORO-2-METHYL-W2395;NSC297623Meseclazone [USAN:INN]Meseclazonum [INN-Latin]
Database identifiers
- CAS
29053-27-8- PubChem CID
- 34445
- DTXSID
DTXSID70865466- ChEMBL
CHEMBL2104738- UNII
- 51KFT71THG
- Nikkaji
- J21.658E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 148 °C · 148°C
- Boiling point
- 131.8 °C · 131.8°C (rough estimate)
- Density
- 1.3213 · 1.3213 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- -3.18 · -3.18±0.40(Predicted)
- FDA UNII
- 51 KFT71THG · 51KFT71THG
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers7 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
3 records
Compound notes
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