Basic information
- CAS
156740-57-7- Standard SMILES
CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(O)c3ccc(F)cc3)c2)c(C)c1- InChIKey
FUBBWDWIGBTUPQ-UHFFFAOYSA-N- Molecular formula
- C25H24FNO6
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.15876565
Names & identifiers
- Preferred name
- Axitirome
- IUPAC
- ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
- English name
- Unii-V477ck910j
- Molecular formula
- C25H24FNO6
- Molecular weight
- 453.46
Names & synonyms
Axitirome156740-57-7AxitiromoV477CK910JCGS26214DTXSID80870041axitiromumRefChem:1077374DTXCID00817897UNII-V477CK910JCgs-26214ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
Show more names
ethyl 2-((4-(3-((4-fluorophenyl)(hydroxy)methyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)-2-oxoacetateAcetic acid,2-[[4-[3-[(4-fluorophenyl)hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylphenyl]amino]-2-oxo-,ethyl esterethyl 2-((4-(3-((4-fluorophenyl)(hydroxy)methyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)-2-oxoacetate (Axitirome)
CHEMBL159682Axitirome [USAN:INN]AXITIROME [INN]Axitirome (USAN/INN)AXITIROME [USAN]SCHEMBL126256orb1698251SCHEMBL29381397
Database identifiers
- CAS
156740-57-7- PubChem CID
- 166559
- DTXSID
DTXSID80870041- ChEMBL
CHEMBL159682
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.50(Predicted)
- FDA UNII
- 477 CK910J · V477CK910J
Chemistry & industry
Applications
UsesHypolipidemic.
Suppliers5 total
北京华美互利生物化工010-56205725 · [email protected]
苏州美石生物科技有限公司1173954148q · [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）15002134094 · [email protected]
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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