6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)

HCID 122009CAS 90829-56-4

部分構造検索類似構造を探す

基本情報

標準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
分子式: C25H30N2O6S2
平均分子量: 518.6 g/mol
単同位体質量: 518.15452868

概要

structure given in first source

名称と識別子

優先名称: 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
英語名: 6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)
分子式: C25H30N2O6S2
分子量: 518.6455

名称と別名

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

名称をさらに表示

6,6'-Methylenebis[1,2-dihydro-2,2-dimethyl-4-quinolinemethanesulfonic acid]

データベース識別子

CAS: 90829-56-4
PubChem CID: 122009
DTXSID: DTXSID30238293
UNII: PUH58A5SK4
Nikkaji: J729.828E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 150 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 35
形式電荷: 0
複雑度: 996

化学と産業

薬理情報

MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.