Basic information
- CAS
16535-98-1- Standard SMILES
COc1cc2cc(=O)[nH]c(C)c2cc1OC- InChIKey
KJXMVLDOJZNMDG-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
- IUPAC
- 6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
- English name
- bemarinone
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
16535-98-16,7-Dimethoxy-1-methyl-2H-isoquinolin-3-one3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-6,7-Dimethoxy-1-methylisoquinolin-3(2H)-one6,7-dimethoxy-1-methylisoquinolin-3-olOprea1_011519Oprea1_519383CHEMBL29611SCHEMBL149852IFLab1_004508orb1698185SCHEMBL7440342
Show more names
Orf 166006,7-dimethoxy-1-methyl-3(2H)-Isoquinolinone6,7-DIMETHOXY-3-HYDROXY-1-METHYLISOQUINOLINE
SCHEMBL27947743DTXSID30167933HMS1424M20MFCD00239033AKOS001634642AKOS024015300CCG-2495901-methyl-6,7-dimethoxy-3-isoquinolone
Database identifiers
- CAS
16535-98-1- PubChem CID
- 613013
- DTXSID
DTXSID30167933- ChEMBL
CHEMBL29611- Nikkaji
- J582.434F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 467
Chemistry & industry
Applications
DescriptionBemarinone is a clinical cardiotonic agent.
Suppliers4 total
烟台盛凯伦生物制品有限公司13356901049 · [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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