chloramphenicol palmitate - analytical standard , Bacterial 70S ribosome inhibitor, CAS No.530-43-8, Bacterial 70S ribosome inhibitor

CAS: 530-43-8 Cat. No.: C135640 Peso molecular: 561.54 Beilstein Registry Number: 2826438 Número EC: 208-477-9

GRADE & PURITY Analytical standard

Synonyms

(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propylhexadecanoate | Palmitic acid, alpha-ester with D-threo-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide | Chloromycetin Palmitate Oral Suspension | HM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2R, 3R)-2-[(2, 2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propylhexadecanoate | Palmitic acid, alpha-ester with D-threo-(-)-2, 2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide | Chloromycetin Palmitate Oral Suspension | HM

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Tipo de acción

INHIBITOR

Mecanismo de acción

Bacterial 70S ribosome inhibitor

Propiedades del producto

• ALogP: 9

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
• IUPAC Name: [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate
• InChIKey: PXKHGMGELZGJQE-ILBGXUMGSA-N
• INCHI: 1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
• WGK Alemania: 3
• RTECS: RT4735000
• Peso molecular: 561.54
• Beilstein: 2826438
• Reaxy-Rn: 2230473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2230473&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Fatty acid esters Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Aromatic alcohols Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Organic oxygen compound - Alcohol - Alkyl chloride - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: palmitate ester

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)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 561.500 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 560.242 Da
• Monoisotopic Mass: 560.242 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 639.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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