2-Hydroxycarbamazepine - ≥95% , CAS No.68011-66-5

CAS: 68011-66-5 Cat. No.: H1064687 Formula: C₁₅H₁₂N₂O₂ Peso molecolare: 252.27 Numero EC: 809-752-1 PubChem CID: 129274

GRADE & PURITY ≥95%

Synonyms

2-Hydroxy-5H-Dibenz(b,f)Azepine-5-Carboxamide | 8-Hydroxy-11-Benzo[B][1]Benzazepinecarboxamide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

2-Hydroxy-5H-Dibenz(b,f)Azepine-5-Carboxamide | 8-Hydroxy-11-Benzo[B][1]Benzazepinecarboxamide

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O

IUPAC Name

3-hydroxybenzo[b][1]benzazepine-11-carboxamide

InChIKey

VPZIYMMSJFWLSP-UHFFFAOYSA-N

INCHI

1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)

Isomeri SMILES

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O

PubChem CID

129274

Peso molecolare

252.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines 1-hydroxy-2-unsubstituted benzenoids Isoureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Benzenoid - Isourea - Azacycle - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• External Descriptors: dibenzooxazepine

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

Proprietà chimiche e fisiche

• Peso molecolare: 252.270 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.09 Da
• Monoisotopic Mass: 252.09 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 382.000
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C 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 68011-66-5, the molecular formula is C15H12N2O2, and the molecular weight is 252.27 g/mol. InChIKey VPZIYMMSJFWLSP-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.