Urobilinogen - 25 g/L in aqueous sodium hydroxide , CAS No.14684-37-8

CAS: 14684-37-8 Cat. No.: U344953 Peso molecular: 590.70~598.80 PubChem CID: 26818

GRADE & PURITY 25 g/L in aqueous sodium hydroxide

Synonyms

SCHEMBL132233 | J-008273 | PD057089 | UROBILINOGEN | 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]prop

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Source：Synthetic

Specifications

Sinónimos

SCHEMBL132233 | J-008273 | PD057089 | UROBILINOGEN | 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1, 2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1, 2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]prop

Especificaciones y pureza

25 g/L in aqueous sodium hydroxide

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

4 ml contains 100 mg of compound. Contains ≤1% Bilirubin.

Nombres e identificadores

• Sonrisas canónicas: CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
• IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
• InChIKey: OBHRVMZSZIDDEK-UHFFFAOYSA-N
• INCHI: 1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
• Isómeros SMILES: CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
• PubChem CID: 26818
• Peso molecular: 590.70~598.80

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrapyrroles and derivatives
      • Subclass Bilirubins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrapyrroles and derivatives
• Subclass: Bilirubins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bilirubins
• Alternative Parents: Substituted pyrroles Dicarboxylic acids and derivatives Pyrrolines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bilirubin skeleton - Dicarboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Pyrroline - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative.
• External Descriptors: bilanes

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

Propiedades químicas y físicas

• Sensibilidad: air & light sensitive
• Peso molecular: 592.700 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 592.326 Da
• Monoisotopic Mass: 592.326 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1160.000
• 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