Basic information
- CAS
90829-56-4- Standard SMILES
CC1(C)C=C(CS(=O)(=O)O)c2cc(Cc3ccc4c(c3)C(CS(=O)(=O)O)=CC(C)(C)N4)ccc2N1- InChIKey
QGIHIJVOMXWTKE-UHFFFAOYSA-N- Molecular formula
- C25H30N2O6S2
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.15452868
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)
- IUPAC
- [6-[[2,2-dimethyl-4-(sulfomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonic acid
- English name
- 6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)
- Molecular formula
- C25H30N2O6S2
- Molecular weight
- 518.6455
Names & synonyms
Mtdq-DAMtdq-DS6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)90829-56-4PUH58A5SK4DTXSID302382934-Quinolinemethanesulfonic acid, 6,6'-methylenebis(1,2-dihydro-2,2-dimethyl-4-Quinolinemethanesulfonic acid, 6,6'-methylenebis[1,2-dihydro-2,2-dimethyl-RefChem:103749DTXCID50160784SCHEMBL678768[Methylenebis(2,2-dimethyl-1,2-dihydroquinoline-6,4-diyl)]dimethanesulfonic acid
Show more names
6,6'-Methylenebis[1,2-dihydro-2,2-dimethyl-4-quinolinemethanesulfonic acid]
Database identifiers
- CAS
90829-56-4- PubChem CID
- 122009
- DTXSID
DTXSID30238293- UNII
- PUH58A5SK4
- Nikkaji
- J729.828E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 996
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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