Rsu 4013

HCID 133282

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Basic information

CAS: 79820-31-8
Standard SMILES: CC(C)(C#N)ON1C(C)(C)CC(NCC(O)Cn2ccnc2[N+](=O)[O-])CC1(C)C.Cl.Cl
InChIKey: OIOFKQCJKLJALI-UHFFFAOYSA-N
Molecular formula: C19H34Cl2N6O4
Average molar mass: 481.4 g/mol
Monoisotopic mass: 480.201859

Overview

structure given in first source

Names & identifiers

Preferred name: Rsu 4013
IUPAC: 2-[4-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanenitrile;dihydrochloride

Names & synonyms

Rsu 4013Rsu-401379820-31-8Propanenitrile, 2-((4-((2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl)amino)-2,2,6,6-tetramethyl-1-piperidinyl)oxy)-2-methyl-, dihydrochlorideRefChem:180102DTXSID3010007872-[4-[[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanenitrile;dihydrochloride2-[(4-{[2-Hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxy]-2-methylpropanenitrile--hydrogen chloride (1/2)

Database identifiers

CAS: 79820-31-8
PubChem CID: 133282
DTXSID: DTXSID301000787

Properties

Computed structural properties

Topological polar surface area: 132 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 620

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