Basic information
- CAS
4439-67-2- Standard SMILES
CCN(CC)CCOc1c2occc2c(O)c2c(=O)cc(C)oc12- InChIKey
QZBPFSZZMYTRIA-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Overview
Amikhelline is a small molecule drug. Amikhelline has a monoisotopic molecular weight of 331.14 Da.
Names & identifiers
- Preferred name
- Amikhelline
- IUPAC
- 9-[2-(diethylamino)ethoxy]-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one
- English name
- Amikhelline
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.366
Names & synonyms
AmikhellineAmikhelline [INN]4439-67-2AmikhellinBD9T227F6MAmikellinaAmikhellinum9(2-(Diethylamino)ethoxy)-4-hydroxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-oneAmikellina [INN-Spanish]Amikhellinum [INN-Latin]UNII-BD9T227F6MAmikelina
Show more names
9-(2-diethylamino-ethoxy)-4-hydroxy-7-methyl-furo[3,2-g]chromen-5-one9-(2-diethylaminoethyloxy)-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one9-(2-diethylaminoethyloxy)-4-hydroxy-7-methyl-furo[3,2-g]chromen-5-one
orb1740235CHEMBL2104025SCHEMBL29378234DTXSID201961519-[2-(diethylamino)ethoxy]-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one9-[2-(Diethylamino)ethoxy]-4-hydroxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-oneNS00124876T69245
Database identifiers
- CAS
4439-67-2- PubChem CID
- 71198
- DTXSID
DTXSID20196151- ChEMBL
CHEMBL2104025
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- FDA UNII
- 9 T227F6M · BD9T227F6M
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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