Isoniazid-d4 - ≥98%(CP),≥98 atom% D , CAS No.774596-24-6

CAS: 774596-24-6 Cat. No.: I336086 分子式: C₆H₃D₄N₃O 分子量: 141.16

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

HY-B0329S | DTXSID60662042 | (~2~H_4_)Pyridine-4-carbohydrazide | AKOS030242771 | 2,3,5,6-tetradeuteriopyridine-4-carbohydrazide | 4-(Pyridine-d4)carboxylic Acid Hydrazide | D99147 | (?H?)pyridine-4-carbohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Isoniazid-d4 is the deuterium labeled Isoniazid. Isoniazid (INH) is a proagent and must be activated by a bacterial catalase-peroxidase enzyme KatG. Isoniazid is bactericidal to rapidly dividing mycobacteria and has anti-tuberculostatic activity.

Specifications

同義語

HY-B0329S | DTXSID60662042 | (~2~H_4_)Pyridine-4-carbohydrazide | AKOS030242771 | 2,3,5,6-tetradeuteriopyridine-4-carbohydrazide | 4-(Pyridine-d4)carboxylic Acid Hydrazide | D99147 | (?H?)pyridine-4-carbohydrazide

仕様と純度

≥98%(CP),≥98 atom% D

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%(CP),≥98 atom% D

名前と識別子

カノニカル・スマイル

C1=CN=CC=C1C(=O)NN

IUPAC Name

2,3,5,6-tetradeuteriopyridine-4-carbohydrazide

InChIKey

QRXWMOHMRWLFEY-RHQRLBAQSA-N

INCHI

1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D

異性体SMILES

[2H]C1=C(N=C(C(=C1C(=O)NN)[2H])[2H])[2H]

代替CAS番号

54-85-3（unlabelled）

分子量

141.16

Reaxy-Rn

119374

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in Water
• 融点（°C）: 159-161° C
• 分子量: 141.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.084 Da
• Monoisotopic Mass: 141.084 Da
• Topological Polar Surface Area: 68.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1