N-Desmethyl Iomeprol - ≥98% , CAS No.77868-40-7

CAS: 77868-40-7 Cat. No.: N768583 Summenformel: C₁₆H₂₀I₃N₃O₈ Molekulargewicht: 763.06 PubChem CID: 10908853

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I
• IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
• InChIKey: ZPJJDGLVOWPGAN-UHFFFAOYSA-N
• INCHI: 1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
• Isomere SMILES: C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I
• PubChem CID: 10908853
• Molekulargewicht: 763.06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Anilides Benzamides Benzoyl derivatives N-arylamides Iodobenzenes Aryl iodides Vinylogous halides Secondary alcohols Secondary carboxylic acid amides Organoiodides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Primary alcohols Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Anilide - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 763.060 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 762.838 Da
• Monoisotopic Mass: 762.838 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 562.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 77868-40-7, the molecular formula is C16H20I3N3O8, and the molecular weight is 763.06 g/mol. InChIKey ZPJJDGLVOWPGAN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.