Acethydrazide - CAS 1068-57-1

Name: Acethydrazide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001935
Product Name:	Acethydrazide
CAS:	1068-57-1
Synonyms:	acetohydrazide

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Computed Properties

IUPAC Name:	acetohydrazide
Description:	Acethydrazide (CAS# 1068-57-1) is a metabolite of Isoniazid (I821450) an antibiotic for treatment of Mycobacterium tuberculosis, inhibits mycolic acid biosynthesis.
Molecular Weight:	74.08
Molecular Formula:	C2H6N2O
Canonical SMILES:	CC(=O)NN
InChI:	InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
InChI Key:	OFLXLNCGODUUOT-UHFFFAOYSA-N
Boiling Point:	129 °C (18 mmHg)
Melting Point:	57-60 °C
Purity:	97 %
Density:	1.041 g/cm³
Appearance:	White moist crystals and chunks
Storage:	Flammables area
MDL:	MFCD00007610
LogP:	0.08740

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H301 (31.29%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112867706-A	MASP-2 inhibitors and methods of use	20180529
CN-107986872-A	A kind of slow-release bio bacterial manure, preparation method and its application in salt affected soil fertilising	20171219
WO-2015155753-A2	Novel linkers and their uses in specific conjugation of drugs to a biological molecule	20150810
US-2015314017-A1	Disulfur bridge linkers for conjugation of a cell-binding molecule	20150715
WO-2015151081-A2	Bridge linkers for conjugation of a cell-binding molecule	20150712

PMID	Publication Date	Title	Journal
32058240	20200315	Design, synthesis and biological evaluation of novel 2-(5-aryl-1H-imidazol-1-yl) derivatives as potential inhibitors of the HIV-1 Vpu and host BST-2 protein interaction	European journal of medicinal chemistry
26867495	20160415	Metabolism of isoniazid by neutrophil myeloperoxidase leads to isoniazid-NAD(+) adduct formation: A comparison of the reactivity of isoniazid with its known human metabolites	Biochemical pharmacology
22719715	20120601	2-(4-Meth-oxy-phen-oxy)acetohydrazide	Acta crystallographica. Section E, Structure reports online
22750815	20120601	Synthesis, antimicrobial and anti-cancer activities of some new N-ethyl, N-benzyl and N-benzoyl-3-indolyl heterocycles	Acta pharmaceutica (Zagreb, Croatia)
22483608	20120501	Synthesis and evaluation of 2-[2-(phenylthiomethyl)-1H-benzo[d] imidazol-1-yl)acetohydrazide derivatives as antitumor agents	Bioorganic & medicinal chemistry letters

Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	74.048012819
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	74.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.6