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(E)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine

(E)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine - CAS 555-15-7

Catalog:	BB029075
Product Name:	(E)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
CAS:	555-15-7
Synonyms:	(2E)-5-nitro-2-furancarboxaldehyde oxime; (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine

Technical Data

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Computed Properties

IUPAC Name:	(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
Description:	(E)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine (CAS# 555-15-7) is a carcinogenic and mutagenic compound.
Molecular Weight:	156.10
Molecular Formula:	C5H4N2O4
Canonical SMILES:	C1=C(OC(=C1)[N+](=O)[O-])C=NO
InChI:	InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+
InChI Key:	PTBKFATYSVLSSD-ZZXKWVIFSA-N
Boiling Point:	274.8 °C at 760 mmHg
Density:	1.58 g/cm³
MDL:	MFCD00003226
LogP:	1.51910

Publication Number	Title	Priority Date
WO-2021202816-A1	Broad-spectrum antiviral peptides	20200331
US-10980756-B1	Methods of treatment	20200316
WO-2021188564-A1	Methods of treating covid-19 with a niclosamide compound	20200316
WO-2021163620-A1	Peptide compositions and methods of use thereof	20200214
WO-2021160049-A1	Bacteriostatic composition, preparation method therefor and use thereof	20200212

PMID	Publication Date	Title	Journal
16107157	20050825	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites	Journal of medicinal chemistry
15857133	20050505	Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk)	Journal of medicinal chemistry
14642910	20031001	Sequential-injection stripping analysis of nifuroxime using DNA-modified glassy carbon electrodes	Bioelectrochemistry (Amsterdam, Netherlands)
11448232	20010719	ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds	Journal of medicinal chemistry
10571254	19991201	Nitrofuran drugs as common subversive substrates of Trypanosoma cruzi lipoamide dehydrogenase and trypanothione reductase	Biochemical pharmacology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	156.01710661
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.01710661
Rotatable Bond Count:	1
Topological Polar Surface Area:	91.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3