Acesulfame K - analytical standard , CAS No.55589-62-3

CAS: 55589-62-3 Cat. No.: A113941 Fórmula: C₄H₄KNO₄S Peso molecular: 201.24 Beilstein Registry Number: 3637857 Número EC: 259-715-3

CALIDAD & PUREZA Analytical standard

Synonyms

4-(1H-Tetrazol-1-yl)benzoic acid, AldrichCPR | INS-950 | 1-Phenyl-3-(pyridin-3-yl)urea | Acesulfame potassium, European Pharmacopoeia (EP) Reference Standard | AKOS001874366 | NCGC00259972-01 | AKOS016015051 | AMY13647 | Acesulfame potassium (NF) | FT-062

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

4-(1H-Tetrazol-1-yl)benzoic acid, AldrichCPR | INS-950 | 1-Phenyl-3-(pyridin-3-yl)urea | Acesulfame potassium, European Pharmacopoeia (EP) Reference Standard | AKOS001874366 | NCGC00259972-01 | AKOS016015051 | AMY13647 | Acesulfame potassium (NF) | FT-062

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

528771378

Sonrisas canónicas

CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]

IUPAC Name

potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one

InChIKey

WBZFUFAFFUEMEI-UHFFFAOYSA-M

INCHI

1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1

Isómeros SMILES

CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]

WGK Alemania

1

CAS alternativo

33665-90-6

Peso molecular

201.24

Beilstein

3637857

Reaxy-Rn

3637857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3637857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Oxacyclic compounds Carboxylic acids and derivatives Carbene-type 1,3-dipolar compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic sulfuric acid or derivatives - Carboxylic acid derivative - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic potassium salt - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid 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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Lymphoblastoid cell (5959 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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TAS2R31 Tchem Taste receptor type 2 member 31 (86 Activities)

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TAS2R14 Tchem Taste receptor type 2 member 14 (240 Activities)

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TAS2R16 Tchem Taste receptor type 2 member 16 (102 Activities)

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TAS2R4 Tchem Taste receptor type 2 member 4 (14 Activities)

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TAS2R41 Tchem Taste receptor type 2 member 41 (57 Activities)

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TAS2R60 Tchem Taste receptor type 2 member 60 (8 Activities)

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TAS2R9 Tchem Taste receptor type 2 member 9 (14 Activities)

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TAS2R10 Tchem Taste receptor type 2 member 10 (51 Activities)

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TAS2R20 Tchem Taste receptor type 2 member 20 (10 Activities)

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TAS2R50 Tchem Taste receptor type 2 member 50 (12 Activities)

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TAS2R8 Tchem Taste receptor type 2 member 8 (387 Activities)

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TAS2R38 Tchem Taste receptor type 2 member 38 (37 Activities)

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TAS2R39 Tchem Taste receptor type 2 member 39 (48 Activities)

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TAS2R40 Tchem Taste receptor type 2 member 40 (10 Activities)

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TAS2R43 Tchem Taste receptor type 2 member 43 (15 Activities)

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TAS2R45 Tchem Taste receptor type 2 member 45 (8 Activities)

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TAS2R46 Tchem Taste receptor type 2 member 46 (155 Activities)

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TAS2R30 Tchem Taste receptor type 2 member 30 (12 Activities)

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TAS2R19 Tchem Taste receptor type 2 member 19 (20 Activities)

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TAS2R42 Tchem Taste receptor type 2 member 42 (6 Activities)

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TAS2R13 Tchem Taste receptor type 2 member 13 (13 Activities)

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TAS2R7 Tchem Taste receptor type 2 member 7 (31 Activities)

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TAS2R5 Tchem Taste receptor type 2 member 5 (11 Activities)

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TAS2R3 Tchem Taste receptor type 2 member 3 (12 Activities)

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Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 229-232°C
• Peso molecular: 201.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 200.95 Da
• Monoisotopic Mass: 200.95 Da
• Topological Polar Surface Area: 69.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 288.000
• 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

XLogP3