Disulfide, bis(2-(4-((p-methoxyphenyl)butyl)amino)ethyl)-, dihydrochloride

HCID 37570

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Basic information

CAS: 36894-65-2
Standard SMILES: COc1ccc(CCCC[NH2+]CCSSCC[NH2+]CCCCc2ccc(OC)cc2)cc1.[Cl-].[Cl-]
InChIKey: DFAXIWKIBAGXSH-UHFFFAOYSA-N
Molecular formula: C26H42Cl2N2O2S2
Average molar mass: 549.7 g/mol
Monoisotopic mass: 548.2064763

Names & identifiers

Preferred name: Disulfide, bis(2-(4-((p-methoxyphenyl)butyl)amino)ethyl)-, dihydrochloride
IUPAC: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride

Names & synonyms

36894-65-2Bis-2-(4-((p-methoxyphenyl)butyl)amino)ethyldisulfide, dihydrochlorideN,N'-Dithiodiethylenebis(4-(p-methoxyphenyl)butylamine) dihydrochlorideButylamine, N,N'-dithiodiethylenebis(4-p-methoxyphenyl)-, dihydrochlorideDISULFIDE, BIS(2-(4-((p-METHOXYPHENYL)BUTYL)AMINO)ETHYL)-, DIHYDROCHLORIDERefChem:339214

Database identifiers

CAS: 36894-65-2
PubChem CID: 37570

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 19
Heavy atoms: 34
Formal charge: 0
Complexity: 377

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