Benzamide - ≥99% , CAS No.55-21-0

CAS: 55-21-0 Cat. No.: B110552 Fórmula: C₇H₇NO Peso molecular: 121.13 Beilstein Registry Number: 385876 Número CE: 200-227-7

GRADE & PURITY ≥99%

Synonyms

AKOS000118773 | SMR000059089 | Phenyl Carboxyamide | YSKVTRZUSMWAQJ-UHFFFAOYSA-N | A830526 | B 2009 | Benzenecarboxamide | benzene-carboxamide | Benzoic acid amide | BRN 0385876 | DTXCID101709 | NCGC00015142-04 | AI3-01031 | BP-21224 | NCGC00015142-06 | S

Storage

Room temperature

Shipped In

Normal

Visão geral

Benzamide on radioiodination by different labeling procedures results in large-scale production of radioiodinated benzamides having potential therapeutic application for patients with metastatic malignant melanoma.
Benzamide was used to study the mechanism of photocatalytic decomposition of aqueous solution of acetic acid, acetamide and acetonitrile in the presence of semiconductors. It was used to develop a robust screening method to study biotransformations using (+)-γ-lactamase enzyme.

Specifications

Sinónimos

AKOS000118773 | SMR000059089 | Phenyl Carboxyamide | YSKVTRZUSMWAQJ-UHFFFAOYSA-N | A830526 | B 2009 | Benzenecarboxamide | benzene-carboxamide | Benzoic acid amide | BRN 0385876 | DTXCID101709 | NCGC00015142-04 | AI3-01031 | BP-21224 | NCGC00015142-06 | S

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Inhibits poly(ADP-ribose) polymerase (PARP).

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508816420

Sorrisos canónicos

C1=CC=C(C=C1)C(=O)N

IUPAC Name

benzamide

InChIKey

KXDAEFPNCMNJSK-UHFFFAOYSA-N

INCHI

1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

SMILES isoméricas

C1=CC=C(C=C1)C(=O)N

WGK Alemanha

1

RTECS

CU8700000

Peso molecular

121.13

Beilstein

385876

Reaxy-Rn

385876

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: benzamides

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

Alvos associados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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SH-SY5Y (11521 Activities)

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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PARG Tchem Poly(ADP-ribose) glycohydrolase (228 Activities)

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F7 Tchem Coagulation factor VII/tissue factor (740 Activities)

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ADH1A Tclin Alcohol dehydrogenase (35 Activities)

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NNMT Tchem Nicotinamide N-methyltransferase (469 Activities)

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PARP1 Tclin PARP 1, 2 and 3 (151 Activities)

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Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

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H9c2 (3506 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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nfo Endonuclease 4 (425 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, methanol, ammonia, pyridine, carbon tetrachloride, carbon disulfide and ethanol. Slightly soluble in benzene and ethyl ether.
• Sensibilidade: Moisture sensitive.
• Ponto de inflamação (°C): 180°C
• Ponto de ebulição (°C): 288 °C
• Ponto de fusão (°C): 128°C
• Peso molecular: 121.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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: 1