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Oxcarbazepine structure, CAS 28721-07-5

Oxcarbazepine

CAS Number28721-07-5

Synonyms10,11-Dihydro-10-oxo-5h-dibenz[b,f]azepine-5-carboxamide,Oxacarbazepine; 10,11-Dihydro-10-oxo-5h-dibenz[b,f]azepine-5-carboxamide Oxacarbazepine; Oxecarb; OXCARBAMAZEPINE; Trileptal; Oxcarbapezine; Ocarbazepine; Oxetol; Aurene; Oxcarbazepine; 10-Oxo-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide; 10,11-Dihydro-10-oxo-5H-dibenzo[b,f]azepine-5-carboxamide; 10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamide; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; EINECS 249-188-8; OXACARBAZEPINE; MFCD00865307

Molecular FormulaC15H12N2O2

Molecular Weight252.27

Purity≥98 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point457.2±55.0 °C at 760 mmHg

Melting Point215-216°C

Flash Point

Appearancesolid

EINECS249-188-8

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9011814 Purity: ≥98 (HPLC)%
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Quality Control of [ 28721-07-5 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number28721-07-5
Catalog No.2A-9011814
Chinese Name奥卡西平
Synonyms10,11-Dihydro-10-oxo-5h-dibenz[b,f]azepine-5-carboxamide,Oxacarbazepine; 10,11-Dihydro-10-oxo-5h-dibenz[b,f]azepine-5-carboxamide Oxacarbazepine; Oxecarb; OXCARBAMAZEPINE; Trileptal; Oxcarbapezine; Ocarbazepine; Oxetol; Aurene; Oxcarbazepine; 10-Oxo-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide; 10,11-Dihydro-10-oxo-5H-dibenzo[b,f]azepine-5-carboxamide; 10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamide; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; EINECS 249-188-8; OXACARBAZEPINE; MFCD00865307
Molecular FormulaC15H12N2O2
Molecular Weight252.27
Purity≥98 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point457.2±55.0 °C at 760 mmHg
Melting Point215-216°C
Appearancesolid
Water SolubilityDMSO: ~9 mg/mL
Storage ConditionStore at RT
ApplicationOxcarbazepine can inhibit the binding of [3H]BTX to sodium channels with an IC50 of 160 μM.
EINECS249-188-8
HTC2933990090
PubChem ID24724563
MDL NumberMFCD00865307
SMILESO=C1CC2=C(C=CC=C2)N(C(N)=O)C3=CC=CC=C31
InChI1S/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)
InChI KeyCTRLABGOLIVAIY-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/11814_1_28721_07_5.pdf
BioactivityOxcarbazepine inhibits the binding of [3H]BTX to sodium channels with IC50 of 160 μM and also inhibits the influx of 22Na+ into rat brain synaptosomes with IC50 about 100 μM.Target: Sodium ChannelOxcarbazepine is an antiepileptic drug with a chemical structure similar to carbamazepine, but with different metabolism. Oxcarbazepine is rapidly reduced to 10,11-dihydro-10-hydroxy-carbazepine (monohydroxy derivative, MHD), the clinically relevant metabolite of oxcarbazepine. MHD has (S)-(+)- and the (R)-(-)-enantiomer [1]. Oxcarbazepine (oxcarb) 600 and 900 mg (2360 and 3540 mumol) was taken by 3 volunteers (2 female, 1 male; 45-67 kg; age 22-34 years) after an overnight fast. Blood, saliva and urine were collected for the next 72 h for assay of oxcarb, 10,11-dihydro-10-hydroxy-carbamazepine (OHcarb), and 10,11-dihydro-trans-10,11-dihydroxy-carbamazepine (diol). Oxcarb reached a maximum level of about 1 microgram/ml (3.93 mumol/l) within 1 h and dropped below the detection limit (0.1 microgram/ml = 0.39 mumol/l) within 3 h. The active metabolite OHcarb appeared in the blood before oxcarb and reached the higher maximum level of 7.4 microgram/ml (29 mumol/l) after 7 h [2]. Clinical indications: EpilepsyToxicity: Isolated cases of overdose with oxcarbazepine have been reported. The maximum dose taken was approximately 24,000 mg. All patients recovered with symptomatic treatment. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Sodium Channel Natural Products >> Alkaloid Research Areas >> Neurological Disease References [1]. May, T.W., E. Korn-Merker, and B. Rambeck, Clinical pharmacokinetics of oxcarbazepine. Clin Pharmacokinet, 2003. 42(12): p. 1023-42. [2]. Theisohn, M. and G. Heimann, Disposition of the antiepileptic oxcarbazepine and its metabolites in healthy volunteers. Eur J Clin Pharmacol, 1982. 22(6): p. 545-51. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 457.2±55.0 °C at 760 mmHg Melting Point 215-216°C Molecular Formula C15H12N2O2 Molecular Weight 252.268 Flash Point 230.3±31.5 °C Exact Mass 252.089874 PSA 63.40000 LogP 1.44 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.662 InChIKey CTRLABGOLIVAIY-UHFFFAOYSA-N SMILES NC(=O)N1c2ccccc2CC(=O)c2ccccc21 Storage condition Store at RT Water Solubility DMSO: ~9 mg/mL
Use ofProperties Articles36 Name oxcarbazepine Synonym More Synonyms Oxcarbazepine Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Sodium Channel Natural Products >> Alkaloid Research Areas >> Neurological Disease References [1]. May, T.W., E. Korn-Merker, and B. Rambeck, Clinical pharmacokinetics of oxcarbazepine. Clin Pharmacokinet, 2003. 42(12): p. 1023-42. [2]. Theisohn, M. and G. Heimann, Disposition of the antiepileptic oxcarbazepine and its metabolites in healthy volunteers. Eur J Clin Pharmacol, 1982. 22(6): p. 545-51. Chemical & Physical Properties Molecular Formula C15H12N2O2 Exact Mass 252.089874 PSA 63.40000 Index of Refraction 1.662 InChIKey CTRLABGOLIVAIY-UHFFFAOYSA-N Storage condition Store at RT
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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