DICL_CP_0317706 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0317706

PubChem CID

34312

Molecular Formula

C₁₅H₁₂N₂O₂

Molecular Weight

252.273 g/mol

Synonyms/Alias

[OXCARBAZEPINE; 28721-07-5; Trileptal; Oxcarbamazepine; Oxacarbazepine; Oxcarbazepina; Oxcarbazepinum; Oxtellar XR; KIN-493; 10-Oxo-10;11-dihydro-5H-dibenzo[b;f]azepine-5-carboxamide; GP 47680; GP-476...[OXCARBAZEPINE; 28721-07-5; Trileptal; Oxcarbamazepine; Oxacarbazepine; Oxcarbazepina; Oxcarbazepinum; Oxtellar XR; KIN-493; 10-Oxo-10;11-dihydro-5H-dibenzo[b;f]azepine-5-carboxamide; GP 47680; GP-47680; 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide; 10;11-Dihydro-10-oxo-5H-dibenz(b;f)azepine-5-carboxamide; 5H-Dibenz[b;f]azepine-5-carboxamide; 10;11-dihydro-10-oxo-; SPN-804; Oxcarbazepinum [INN-Latin]; Oxcarbazepina [INN-Spanish]; 10;11-Dihydro-10-oxo-5H-dibenz[b;f]azepine-5-carboxamide; EINECS 249-188-8; UNII-VZI5B1W380; NSC-758693; OCBZ; CHEBI:7824; VZI5B1W380; 5H-Dibenz(b;f)azepine-5-carboxamide; 10;11-dihydro-10-oxo-; 9-oxo-2-azatricyclo[9.4.0.0^{3;8}]pentadeca-1(11);3(8);4;6;12;14-hexaene-2-carboxamide; MLS000084586; DTXSID0045703; HSDB 7524; MFCD00865307; CHEMBL1068; SMR000048684; DTXCID8025703; Timox; Oxcarbazepine [USAN:USP:INN:BAN]; NSC 758693; NCGC00065934-02; Oxcarbazepine [INN]; Oxcarbazepinum (INN-Latin); Oxcarbazepina (INN-Spanish); OXCARBAZEPINE (MART.); OXCARBAZEPINE [MART.]; OXCARBAZEPINE (USP-RS); OXCARBAZEPINE [USP-RS]; Oxcarbazepime; Epilexter; Epliga; OXCARBAZEPINE (EP MONOGRAPH); OXCARBAZEPINE [EP MONOGRAPH]; Oxcarbazepine (USAN:USP:INN:BAN); OXCARBAZEPINE (USP MONOGRAPH); OXCARBAZEPINE [USP MONOGRAPH]; Trileptal (TN); CAS-28721-07-5; SR-01000612612; Oxtellar; 10-oxo-10;11-dihydro-5H-dibenzo(b;f)azepine-5-carboxamide; Oxtellar (TN); Oxcarbazepine- Bio-X; Spectrum_001675; Opera_ID_818; regid866068; Spectrum2_000483; Spectrum3_001669; Spectrum4_000634; Spectrum5_001869; O0363; OXCARBAZEPINE [MI]; OXCARBAZEPINE [JAN]; OXCARBAZEPINE [HSDB]; OXCARBAZEPINE [USAN]; SCHEMBL35129; BSPBio_003457; KBioGR_001248; KBioSS_002155; OXCARBAZEPINE [VANDF]; cid_34312; MLS000759520; MLS001201742; MLS001424025; MLS006011855; BIDD:GT0078; SPECTRUM1504243; SPBio_000345; OXCARBAZEPINE [WHO-DD]; GTPL7254; Oxcarbazepine (JAN/USP/INN); BDBM34179; KBio2_002155; KBio2_004723; KBio2_007291; KBio3_002677; N03AF02; Oxcarbazepine; analytical standard; 10;11-Dihydro-10-oxo-5H-dibenzo[b;f]azepine-5-carboxamide; HMS1922H17; HMS2051O04; HMS2090F13; HMS2093E10; HMS2231B12; HMS3369J22; HMS3393O04; HMS3657O11; HMS3713I10; HMS3884K13; Pharmakon1600-01504243; OXCARBAZEPINE [ORANGE BOOK]; BCP28260; BCP33398; HY-B0114; Tox21_110983; CCG-39509; NSC758693; s1391; STK594696; AKOS005516529; Oxcarbazepine; 1mg/ml in Acetonitrile; Tox21_110983_1; AC-3483; CS-1869; DB00776; KS-5197; NC00088; Oxcarbazepine; >=98% (HPLC); solid; NCGC00065934-03; NCGC00065934-04; NCGC00065934-05; NCGC00065934-06; BO164187; SY052973; SBI-0206772.P001; GP-47-680; AM20040094; NS00010016; SW197468-3; C07492; D00533; EN300-123538; M06310; AB00393017-12; AB00393017-14; AB00393017_15; AB00393017_16; Q176301; SR-01000612612-4; SR-01000612612-6; W-107033; BRD-K04196797-001-12-9; Z1551967555; 10-oxo-10;11-dihydro-5H-dibenz(b;f)azepin-5-carboxamide; 5-carbamoyl-10-oxo-10;11-dihydro-5H-dibenz[b;f]azepine; 10;11-Dihydro-10-oxo-5H-dibenz[b;f]azepin-5-carbonsaeureamid; 10-Oxo-10;11-dihydro-5H-dibenzo[b;f]azepine-5-carboxamide #; Oxcarbazepine; European Pharmacopoeia (EP) Reference Standard; Oxcarbazepine; United States Pharmacopeia (USP) Reference Standard; 9-oxo-2-azatricyclo[9.4.0.0;3;8]pentadeca-1(15);3;5;7;11;13-hexaene-2-carboxamide; Oxcarbazepine; Pharmaceutical Secondary Standard; Certified Reference Material]

InChI Key

CTRLABGOLIVAIY-UHFFFAOYSA-N

InChI

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

IUPAC Name

5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

CAS Number

28721-07-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

31 33 0 0 0 0 0 0 0 0999 V2000
-0.0064 1.7849 1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1685 1.2547 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2538 2.078...

Download SDF File (2676 bytes)

Experimental Data

Activity Data

Target Ion Channel

Sodium channel protein type 8 subunit alpha

Uniprot Accession Number

Q9UQD0

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 123700 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.5

Holding Potential

70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/epi.17149

URL

N/A (Not available)

PMID

35037706

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.6422

Complexity

72.6409

TPSA (Å²)

63.4

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties