Methenamine Hippurate - ≥95% , DNA inhibitor, CAS No.5714-73-8, DNA inhibitor

CAS: 5714-73-8 Cat. No.: M414408 Molecular Weight: 319.36 EC Number: 227-206-5

GRADE & PURITY ≥95%

Synonyms

Viapta | Methenamine hippurate | D00855 | 2-benzamidoacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane | FT-0671059 | Hexamethylenetetramine monohippurate;Hexamethylenetetramine monohippurate | 1,3,5,7-TETRAAZATRICYCLO[3.3.1.1(3),?]DECANE; 2-(PHENYLFO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information：

Methenamine Hippurate is the hippurate salt form of methenamine, a prodrug and inactive weak base that is hydrolyzed to formaldehyde in acid urine.Methenamine Hippurate is the component of Hiprex drug which has antibacterial activity.

Specifications

Synonyms

Viapta | Methenamine hippurate | D00855 | 2-benzamidoacetic acid;1, 3, 5, 7-tetrazatricyclo[3.3.1.13, 7]decane | FT-0671059 | Hexamethylenetetramine monohippurate;Hexamethylenetetramine monohippurate | 1, 3, 5, 7-TETRAAZATRICYCLO[3.3.1.1(3), ?]DECANE; 2-(PHENYLFO

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Methenamine Hippurate is the hippurate salt form of methenamine, a prodrug and inactive weak base that is hydrolyzed to formaldehyde in acid urine.Methenamine Hippurate is the component of Hiprex drug which has antibacterial activity.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

DNA inhibitor

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753063
• Canonical Smiles: C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)NCC(=O)O
• IUPAC Name: 2-benzamidoacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
• InChIKey: ROAIXOJGRFKICW-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2
• Isomeric SMILES: C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)NCC(=O)O
• Molecular Weight: 319.36
• Reaxy-Rn: 13167026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13167026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: N-acyl-alpha amino acids Benzoyl derivatives 1,3,5-triazinanes Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Aminals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - 1,3,5-triazinane - Triazinane - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Aminal - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 64 mg/mL (200.4 mM); Water: 64 mg/mL (200.4 mM); Ethanol: 64 mg/mL (200.4 mM)
• Melt Point(°C): >89°C
• Molecular Weight: 319.360 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 319.164 Da
• Monoisotopic Mass: 319.164 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• 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: 2

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