10,11-Dihydro-10-Hydroxycarbamazepine - ≥97% , CAS No.29331-92-8

CAS: 29331-92-8 Cat. No.: H303342 Molecular Weight: 254.29 EC Number: 608-350-1

GRADE & PURITY ≥97%

Synonyms

10,11-DIHYDRO-10-HYDROXYCARBAZEPINE | racemic 10-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide | 10-Hydroxy-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide | XFX1A5KJ3V | ( inverted exclamation markA)-10-Hydroxy-10,11-dihydro-5H-dib

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

10, 11-DIHYDRO-10-HYDROXYCARBAZEPINE | racemic 10-hydroxy-10, 11-dihydro-5H-dibenzo[b, f]azepine-5-carboxamide | 10-Hydroxy-10, 11-dihydro-dibenzo[b, f]azepine-5-carboxylic acid amide | XFX1A5KJ3V | ( inverted exclamation markA)-10-Hydroxy-10, 11-dihydro-5H-dib

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Active metabolite of oxcarbazepine . Induces microsomal enzymes via sodium channel protein inhibition. Potentiates minor GABA A receptor currents; exhibits anticonvulsant activity. Antiepileptic agent. Active in vivo .

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756721
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756721
• Canonical Smiles: C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
• IUPAC Name: 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
• InChIKey: BMPDWHIDQYTSHX-UHFFFAOYSA-N
• INCHI: 1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)
• Isomeric SMILES: C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
• Molecular Weight: 254.29
• Reaxy-Rn: 1540211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1540211&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Secondary alcohols Isoureas Azacyclic compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Isourea - Secondary alcohol - Carboximidic acid derivative - Azacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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: carboxamide - 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

Associated Targets(Human)

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

Discover Target: P2RX4

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Homo sapiens (32628 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Scn8a Sodium channel protein type VIII alpha subunit (53 Activities)

Discover Target: Scn8a

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 214.6°C
• Boil Point(°C): 431.3°C at 760 mmHg
• Molecular Weight: 254.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 254.106 Da
• Monoisotopic Mass: 254.106 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 347.000
• 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