Chem
J-GLOBAL ID：200907047779187566
Nikkaji number：J87.745J
2-[5-(4,6-Dimethyl-2-quinolyloxy)pentyl]aminoethanethiol sulfate
2-[5-(4,6-ジメチル-2-キノリルオキシ)ペンチル]アミノエタンチオールスルファート
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C18H26N2O4S2
Molecular formula furigana： C18-H26-N2-O4-S2
Molecular weight： 398.540
InChI：
InChI=1S/C18H26N2O4S2/c1-14-6-7-17-16(12-14)15(2)13-18(20-17)24-10-5-3-4-8-19-9-11-25-26(21,22)23/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,21,22,23)
InChI key：
GKOVMTHKJDWVMC-UHFFFAOYSA-N
SMILES：
Cc1ccc2nc(OCCCCCNCCSS(=O)(=O)O)cc(C)c2c1
Systematic name (3)：
- 2-[5-(4,6-ジメチル-2-キノリルオキシ)ペンチル]アミノエタンチオールスルファート
- {[2-({5-[(4,6-ジメチルキノリン-2-イル)オキシ]ペンチル}アミノ)エチル]スルファニル}スルホン酸
- {[2-({5-[(4,6-dimethylquinolin-2-yl)oxy]pentyl}amino)ethyl]sulfanyl}sulfonic acid
- 2-[5-(4,6-Dimethyl-2-quinolyloxy)pentyl]aminoethanethiol sulfate
Regulation number (1)：
- KJ1060000
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