Carbamazepine10,11-Epoxide - ≥97% , CAS No.36507-30-9

CAS: 36507-30-9 Cat. No.: C136280 Molecular Weight: 252.27 EC Number: 641-693-5

GRADE & PURITY ≥97%

Synonyms

1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepine-6-carboxamide | HY-W013378 | 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro- | Carbamazepin-10,11-epoxide | MFCD00467137 | Q27106058 | SCHEMBL156675 | 1a,10b-Dihydro-6H-dibenz(b,f)oxireno(d)azep

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1a, 10b-Dihydro-6H-dibenz(b, f)oxiren(d)azepine-6-carboxamide | HY-W013378 | 6H-Dibenz[b, f]oxireno[d]azepine-6-carboxamide, 1a, 10b-dihydro- | Carbamazepin-10, 11-epoxide | MFCD00467137 | Q27106058 | SCHEMBL156675 | 1a, 10b-Dihydro-6H-dibenz(b, f)oxireno(d)azep

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
• IUPAC Name: 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide
• InChIKey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N
• INCHI: 1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
• Isomeric SMILES: C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
• WGK Germany: 3
• Molecular Weight: 252.27
• Reaxy-Rn: 1219988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1219988&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 Ureas Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Carbonic acid derivative - Urea - Dialkyl ether - Oxirane - Ether - Azacycle - Oxacycle - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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: ureas - epoxide - 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)

P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

Discover Target: P2RX4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 9°C
• Molecular Weight: 252.270 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.09 Da
• Monoisotopic Mass: 252.09 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• 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