Iopanoic Acid - 10mM in DMSO , CAS No.96-83-3

CAS: 96-83-3 Cat. No.: I427174 Formula: C₁₁H₁₂I₃NO₂ Peso molecolare: 570.94 Numero EC: 202-539-9

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

IOPANOIC ACID|96-83-3|Iodopanoic acid|Telepaque|Cholevid|Iopagnost|iopanic acid|Bilijodon|Choladine|Jopagnost|Cistobil|Colepax|Copanoic|Iopanoicum|Polognost|Jopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-(3-Amino-2,4,6-triiodobenzyl)butanoic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Product description：

Iopanoic acid (Acidum iopanoicum, Iodopanoic acid) is an iodine-containing radiocontrast medium used in cholecystography.

Specifiche

Sinonimi

IOPANOIC ACID | 96-83-3 | Iodopanoic acid | Telepaque | Cholevid | Iopagnost | iopanic acid | Bilijodon | Choladine | Jopagnost | Cistobil | Colepax | Copanoic | Iopanoicum | Polognost | Jopanoic acid | 2-(3-Amino-2,4,6-triiodobenzyl)butyric acid | 2-(3-Amino-2,4,6-triiodobenzyl)butanoic

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528774235

Sorrisi canonici

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

IUPAC Name

2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid

InChIKey

OIRFJRBSRORBCM-UHFFFAOYSA-N

INCHI

1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

Isomeri SMILES

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

Peso molecolare

570.94

Reaxy-Rn

2220381

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Aniline and substituted anilines Iodobenzenes Aryl iodides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Aniline or substituted anilines - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: monocarboxylic acid

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 153° C
• Peso molecolare: 570.930 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 570.8 Da
• Monoisotopic Mass: 570.8 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1