Biotin 4-amidobenzoic acid sodium salt - ≥95% , CAS No.102418-74-6

CAS: 102418-74-6 Cat. No.: B293460 Peso molecular: 385.41 PubChem CID: 23679058

GRADE & PURITY ≥95%

Synonyms

DTXSID50635548 | (+)-Biotin 4-Amidobenzoic Acid, Sodium Salt | J-000685 | AS-75071 | Sodium N-(+)-biotinyl-4-aminobenzoate | Sodium 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate | Biotin 4-amidobenzoic acid sodi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID50635548 | (+)-Biotin 4-Amidobenzoic Acid, Sodium Salt | J-000685 | AS-75071 | Sodium N-(+)-biotinyl-4-aminobenzoate | Sodium 4-({5-[(3aS, 4S, 6aR)-2-oxohexahydro-1H-thieno[3, 4-d]imidazol-4-yl]pentanoyl}amino)benzoate | Biotin 4-amidobenzoic acid sodi

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 24891859
• Sonrisas canónicas: C1C2C(C(S1)CCCCC(=O)NC3=CC=C(C=C3)C(=O)[O-])NC(=O)N2.[Na+]
• IUPAC Name: sodium;4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoate
• InChIKey: AMXZKFYBAOWERX-HZPCBCDKSA-M
• INCHI: 1S/C17H21N3O4S.Na/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15;/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24);/q;+1/p-1/t12-,13-,15-;/m0./s1
• Isómeros SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC=C(C=C3)C(=O)[O-])NC(=O)N2.[Na+]
• WGK Alemania: 3
• PubChem CID: 23679058
• Peso molecular: 385.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Acylaminobenzoic acid and derivatives Anilides Benzoic acids Thienoimidazolidines N-arylamides Benzoyl derivatives Imidazolidinones Fatty amides Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Acylaminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - Thienoimidazolidine - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Imidazolidinone - Benzenoid - Imidazolidine - Thiolane - Thiophene - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Urea - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic oxide - Organic sodium salt - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): >300° C
• Peso molecular: 385.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 385.107 Da
• Monoisotopic Mass: 385.107 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 528.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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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