N'-Isopropylisonicotinohydrazide - CAS 54-92-2

Name: N'-Isopropylisonicotinohydrazide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028861
Product Name:	N'-Isopropylisonicotinohydrazide
CAS:	54-92-2
Synonyms:	N'-propan-2-yl-4-pyridinecarbohydrazide; N'-propan-2-ylpyridine-4-carbohydrazide
Application:	Antidepressive Agents

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	N'-propan-2-ylpyridine-4-carbohydrazide
Description:	A hydrazine based drug used as an antidepressant. Iproniazid acts as an irreversible and nonselective monoamine oxidase inhibitor.
Molecular Weight:	179.22
Molecular Formula:	C9H13N3O
Canonical SMILES:	CC(C)NNC(=O)C1=CC=NC=C1
InChI:	InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
InChI Key:	NYMGNSNKLVNMIA-UHFFFAOYSA-N
Melting Point:	161-161.5 °C
Purity:	> 95 %
MDL:	MFCD00153819
LogP:	1.50620

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021195723-A1	"methods for treatment of coronavirus infections"	20200403
WO-2021202419-A1	Use of bupropion and dextromethorphan combinations for treating neurological disorders	20200330
JP-2021150561-A	Abrasive and polishing method	20200323
WO-2021188186-A2	Detection of gene polymorphisms	20200318
WO-2021188834-A1	Detection of gene polymorphisms	20200318

PMID	Publication Date	Title	Journal
32816093	20210101	An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury	Archives of toxicology
28437613	20170515	Evaluating the Role of Multidrug Resistance Protein 3 (MDR3) Inhibition in Predicting Drug-Induced Liver Injury Using 125 Pharmaceuticals	Chemical research in toxicology
24085192	20140101	A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans	Toxicological sciences : an official journal of the Society of Toxicology
23956101	20131101	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development	Toxicological sciences : an official journal of the Society of Toxicology
22137786	20120101	Hydroxycoumarins as selective MAO-B inhibitors	Bioorganic & medicinal chemistry letters

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.105862047
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.105862047
Rotatable Bond Count:	3
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4