Basic information
- CAS
91406-11-0- Standard SMILES
CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1- InChIKey
CHDGAVDQRSPBTA-UHFFFAOYSA-N- Molecular formula
- C13H14O5S
- Average molar mass
- 282.31 g/mol
- Monoisotopic mass
- 282.05619472
Overview
Esuprone is a small molecule drug. Esuprone has a monoisotopic molecular weight of 282.06 Da.
Names & identifiers
- Preferred name
- Esuprone
- IUPAC
- (3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
- English name
- Esuprone
- Molecular formula
- C13H14O5S
- Molecular weight
- 282.315
Names & synonyms
Esuprone91406-11-0EsupronaEsupronum7-Hydroxy-3,4-dimethylcoumarin ethanesulfonateK7EB9E48ZEDTXSID60238549RefChem:137973DTXCID60161040Esuprone [INN](3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonateCHEMBL18504
Show more names
LU43839LU-43839Esuprone, 10 mM in DMSO3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl ethanesulfonate
Lu 43839Esuprona [Spanish]Esupronum [Latin]UNII-K7EB9E48ZESCHEMBL571196orb17006323,4-dimethyl-2-oxo-2H-chromen-7-yl ethane-1-sulfonateSCHEMBL29392054
Database identifiers
- CAS
91406-11-0- PubChem CID
- 65827
- DTXSID
DTXSID60238549- ChEMBL
CHEMBL18504- UNII
- K7EB9E48ZE
- Nikkaji
- J835.493F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- FDA UNII
- 7 EB9E48ZE · K7EB9E48ZE
Chemistry & industry
Applications
UsesEsuprone is a brain-penetrant, orally active and selective MAO A inhibitor with an IC50 of 7.3 nM. Esuprone can be used for neurological research[1][2].
Suppliers5 total
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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