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Acetylisoniazid

Acetylisoniazid structure

CAS No:
1078-38-2
Formula:
C8H9N3O2
Chemical Name:
Acetylisoniazid
Synonyms:
4-Pyridinecarboxylic acid,2-acetylhydrazide;Hydrazine,1-acetyl-2-isonicotinoyl-;Hydrazine,1-acetyl-2-isonicotinyl-;Acetylisoniazid;N-Acetylisonicotinylhydrazide;1-Acetyl-2-isonicotinoylhydrazine;Acetylisoniazide;NSC 36084;N-Acetylisoniazid;N-Acetyl-N′-isonicotinoylhydrazine;N-Monoacetylisoniazid
Categories:
Organic Chemistry > Hydrazine or Hydroxylamine Derivatives

Description

White SolidChEBI: A carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom.

N'-acetylisoniazid is a carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom. It has a role as a metabolite. It derives from an isoniazide.

Acetylisoniazid Basic Attributes

Molecular Weight：

179.17596

Exact Mass：

179.18

UNII：

J42942UVUN

DSSTox ID：

DTXSID1020013

Characteristics

PSA：

71.1

XLogP3：

-0.4

Density：

1.2896 (rough estimate)

Melting Point：

105 °C @ Solvent: Ethanol

Boiling Point：

311.69°C (rough estimate)

Refractive Index：

1.7400 (estimate)

Drug Information

Metabolism/Metabolites：

Isoniazid N-acetyl is a known human metabolite of isoniazid.

MeSH Entry Terms：

(N)1-acetylisoniazid

Acetylisoniazid Use and Manufacturing

A metabolite of Isoniazid (I821450)

Computed Properties

Molecular Weight:179.18
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:179.069476538
Monoisotopic Mass:179.069476538
Topological Polar Surface Area:71.1
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes