Basic information
- CAS
21590-91-0- Standard SMILES
CN1C(=O)c2ccccc2C1Nc1ccc(OCCN2CCCCC2)cc1- InChIKey
OSRMGAHKSUHZOH-UHFFFAOYSA-N- Molecular formula
- C22H27N3O2
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.21032711
Names & identifiers
- Preferred name
- Omidoline
- IUPAC
- 2-methyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
- English name
- omidoline
- Molecular formula
- C22H27N3O2
- Molecular weight
- 365.47
Names & synonyms
Omidoline21590-91-0OmidolinaOmidoline [INN]IXD7FX556R2-methyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-oneOmidolinumOmidolinum [INN-Latin]Omidolina [INN-Spanish]UNII-IXD7FX556Rorb1695811SCHEMBL2110974
Show more names
2-Methyl-3-[4-(2-piperidinoethyloxy)anilino]-1-isoindolinone1H-Isoindol-1-one, 2,3-dihydro-2-methyl-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-
CHEMBL2104747DTXSID70864999OSRMGAHKSUHZOH-UHFFFAOYSA-NEINECS 244-462-3AKOS0407533681H-Isoindol-1-one, 2,3-dihydro-2-methyl-3((4-(2-(1-piperidinyl)ethoxy)phenyl)amino)NS00049772K 2777
Database identifiers
- CAS
21590-91-0- PubChem CID
- 65699
- DTXSID
DTXSID70864999- ChEMBL
CHEMBL2104747- UNII
- IXD7FX556R
- EC Number
- 244-462-3
- Nikkaji
- J10.792A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- FDA UNII
- 7 FX556R · IXD7FX556R
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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