Basic information
- CAS
53108-00-2- Standard SMILES
CC1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
RNOJGTHBMJBOSP-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2O4
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 356.0582144
Names & identifiers
- Preferred name
- Iaa-94
- IUPAC
- 2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
- English name
- 2-((6,7-dichloro-2-cyclopentyl-2-Methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid
- Molecular formula
- C17H18Cl2O4
- Molecular weight
- 357.23
Names & synonyms
IAA-942-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acidIAA 94RefChem:92324053108-00-2(Rac)-MethylindazoneIndanyloxyacetic acid 9454197-05-6MK-473[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1h-inden-5-yl)oxy]acetic acidMFCD01672016
Show more names
Acetic acid, 2-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy]-
54197-31-82-Cyclopentyl-6,7-dichloro-2-methyl-1-oxo-5-indanyloxyacetic acidR(+)-Methylindazone2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acidC17H18Cl2O4R(+)-IAA-94MK 473BRN 1893792
Database identifiers
- CAS
53108-00-2、54197-05-6- PubChem CID
- 3667
- DTXSID
DTXSID20969160- ChEMBL
CHEMBL79956- Nikkaji
- J22.671H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that promote the excretion of urine through their effects on kidney function.
Gout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.
Applications
Uses(Rac)-Methylindazone ((Rac)-IAA-94) is the racemate of Methylindazone. Methylindazone is a potent CLIC1 channel blocker[1].
Suppliers7 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [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]
佛山合硕医药科技有限公司15363639686 · [email protected]
Related reactions
25 records
Compound notes
Loading…