Isosulfan Blue - ≥98% , CAS No.68238-36-8

CAS: 68238-36-8 Cat. No.: I420048 Summenformel: C₂₇H₃₁N₂NaO₆S₂ Molekulargewicht: 566.66 EG-Nummer: 814-985-7

GRADE & PURITY ≥98%

Synonyms

Sulphan blue 2,5-disulfophenyl isomer | Sodium 2-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzene-1,4-disulfonate | Bleu isosulfan | PATENTBLUEVIOLET | Disulphin Blau | 2,5-Disulfophenyl isomer | DTXCID6031594 | P 188

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Isosulfan blue is a blue dye for the identification of lymph vessels during lymphangiography. Isosulfan blue is used during sentinel lymph node biopsies in breast cancer. However, Isosulfan blue may be a cause of allergic reactions during breast cancer operations. Isosulfur blue is usually administered subcutaneously or directly into the tissue surrounding the tumor. After injection, the dye is rapidly absorbed by the lymphatic system, causing the lymph nodes to become visible and facilitating identification during surgery.

Precautions

(1) Allergic reactions: Some patients may be allergic to isosulfur blue，an allergy test should be performed before use.

(2) Side effects: Possible side effects include skin staining, injection site pain, and allergic reactions.

(3) Contraindications: This medication is contraindicated in patients with a known allergy to isosulfur blue or any of its components.

Specifications

Synonyme

Sulphan blue 2,5-disulfophenyl isomer | Sodium 2-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzene-1,4-disulfonate | Bleu isosulfan | PATENTBLUEVIOLET | Disulphin Blau | 2,5-Disulfophenyl isomer | DTXCID6031594 | P 188

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528771792

Kanonisches Lächeln

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate

InChIKey

NLUFDZBOHMOBOE-UHFFFAOYSA-M

INCHI

1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1

Isomere SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Molekulargewicht

566.66

Reaxy-Rn

6560995

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6560995&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Dialkylarylamines Aniline and substituted anilines Sulfonyls Secondary ketimines Organosulfonic acids Azomethines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Azomethine - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic sodium salt - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• Löslichkeit: Easily soluble in water
• Molekulargewicht: 566.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 566.152 Da
• Monoisotopic Mass: 566.152 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1040.000
• 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

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