Basic information
- CAS
57067-46-6- Standard SMILES
CCCCN(C(=O)C(C)C)c1nc(C)co1- InChIKey
VMBNXRJYPJRJIU-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247788
Overview
Isamoxole is a small molecule drug. Isamoxole has a monoisotopic molecular weight of 224.15 Da.
Names & identifiers
- Preferred name
- Isamoxole
- IUPAC
- N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
- English name
- Isamoxole
- Molecular weight
- 0
Names & synonyms
ISAMOXOLE57067-46-6Compound 90606IsamoxolIsamoxolumCOMPOUND-90606Propanamide, N-butyl-2-methyl-N-(4-methyl-2-oxazolyl)-24QIB5VSGXNSC-301203DTXSID40205678N-Butyl-N-(4-methyloxazol-2-yl)-2-methylpropanamideRefChem:923586
Show more names
Nsc301203Lilly-90606N-Butyl-2-methyl-N-(4-methyloxazol-2-yl)propanamide
DTXCID70128169n-Butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamideN-Butyl-2-methyl-N-(4-methyl-2-oxazolyl)propionamideIsamoxole (USAN/INN)Isamoxol [INN-Spanish]Isamoxolum [INN-Latin]UNII-24QIB5VSGXIsamoxole [USAN:INN:BAN]
Database identifiers
- CAS
57067-46-6- PubChem CID
- 42118
- DTXSID
DTXSID40205678- ChEMBL
CHEMBL2105068- UNII
- 24QIB5VSGX
- Nikkaji
- J11.734J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- FDA UNII
- 24 QIB5VSGX · 24QIB5VSGX
Chemistry & industry
Applications
UsesAnti-asthmatic.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
7 records
Compound notes
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