(S)-Furaltadone hydrochloride

HCID 5284428

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Basic information

CAS: 13146-28-6
Standard SMILES: Cl.O=C1O[C@@H](CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
InChIKey: PPSVFZXMDMUIGB-MERQFXBCSA-N
Molecular formula: C13H17ClN4O6
Average molar mass: 360.75 g/mol
Monoisotopic mass: 360.083662

Names & identifiers

Preferred name: (S)-Furaltadone hydrochloride
IUPAC: (5S)-5-(morpholin-4-ylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride

Names & synonyms

(S)-Furaltadone hydrochlorideSCHEMBL2585607DTXSID4020909(5S)-5-(morpholin-4-ylmethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxa zolidin-2-one hydrochloride(5S)-5-[(Morpholin-4-yl)methyl]-3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one--hydrogen chloride (1/1)

Database identifiers

CAS: 13146-28-6、3031-51-4
PubChem CID: 5284428
DTXSID: DTXSID4020909

Properties

Computed structural properties

Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 476

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