10,11-二氢-10-羟基卡马西平
Licarbazepine
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基本信息
- CAS
29331-92-8- 标准SMILES
NC(=O)N1c2ccccc2CC(O)c2ccccc21- InChIKey
BMPDWHIDQYTSHX-UHFFFAOYSA-N- 分子式
- C15H14N2O2
- 平均分子量
- 254.28 g/mol
- 单同位素质量
- 254.10552769
概述
Licarbazepine is a dibenzoazepine that is 5H-dibenzo[b,f]azepine, reduced across the C-10,11 positions and carrying a carbamoyl substituent at the azepine nitrogen and a hydroxy function at C-10. A voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects, it is related to oxcarbazepine and is an active metabolite of oxcarbazepine. It has a role as an anticonvulsant, a sodium channel blocker and a drug allergen. It is a carboxamide, a dibenzoazepine and a member of ureas. It is functionally related to a carbamazepine.
名称与标识
- 首选名称
- Licarbazepine
- IUPAC
- 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
- 中文名
- 10,11-二氢-10-羟基卡马西平
- 英文名
- 10,11-DIHYDRO-10-HYDROXYCARBAZEPINE
- 分子式
- C15H14N2O2
- 分子量
- 254.28
名称与别名
Licarbazepine29331-92-810-HydroxycarbazepinelicarbazepinaXFX1A5KJ3Vlicarbazepinum10,11-Dihydro-10-hydroxy-5H-dibenz(b,f)azepine-5-carboxamideCHEBI:70110,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamideDTXSID50865484RefChem:153361DTXCID70813886
展开更多名称
甘草氮平利卡西平10羟卡马西平利卡西平/精确称量13C6-利卡巴嗪2H9]-利卡西平13C6]-利卡西平利卡西平-[13C6]/精确称量10,11-二氢-10-羟基卡马西平10,11-二氢-10-羟基奥卡西平BIA 2-005GP 47779-d3BIA 2-005-d3icarbazepineHydroxycarbamazepineLicarbazepine Racemate10,11-Dihydro-10-hydroxyLicarbazepine (Standard)
10,11-MHD10-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide10,11-Dihydro-10-hydroxycarbamazepine10-Hydroxycarbamazepine10-OH-CarbazepineGP 4777910,11-Dihydro-10-hydroxy Carbamazepine10,11-DIHYDRO-10-HYDROXYCARBAZEPINE
性质
结构计算性质补全中
- XLogP
- 1.4
- 极性表面积
- 66.6 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 347
实验与物化性质
Drugs
Pharmaceuticals -> Antiepileptics
Pharmaceuticals
物理化学性质
- 熔点
- 186 · 186-189°C
- 沸点
- 431.3 · 431.3±55.0 °C(Predicted)
- 密度
- 1.336 · 1.336
- 闪点
- 2 ℃ · 2℃
- 储存条件
- -20 °C · -20°C
- 溶解度
- 100 mM · Soluble to 100 mM in DMSO and to 50 mM in ethanol
- 形态
- Solid
- 酸度系数(pKa)
- 13.75 · 13.75±0.20(Predicted)
- 颜色
- White to off-white
- BRN
- 1540211 · 1540211
- 主要应用
- forensics and toxicologypharmaceutical (small molecule)
- 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)
- InChIKey
- BMPDWHIDQYTSHX-UHFFFAOYSA-N
- SMILES
- N1(c2c(cccc2)C(Cc3c1cccc3)O)C(=O)N
- CAS 数据库
- 29331 · 29331-92-8
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.
Danger
H302 (31.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Hazard Classes and CategoriesAcute Tox. 4 (31.7%)
安全数据
- wgk
- 3
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 61-36/37-26-16
- 危险品标志
- N,Xn,F
- 危险性类别
- Aquatic Chronic 2
- 危险类别码
- 51/53-36-20/21/22-11
- 危险品运输编号
- UN 3077 9 / PGIII
化学与工业
药理信息
Metabolism/Metabolites10-hydroxycarbazepine has known human metabolites that include (2S,3S,4S,5R)-6-[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Tissue LocationsKidney
Metabolite PathwaysCarbamazepine Metabolism Pathway
用途与制造
UsesUse (kg) in Switzerland (2009): >750
应用领域
应用10，11-二氢-10-羟基卡马西平可作为有机合成中间体和医药中间体，可用于制备抗癫痫药物醋酸艾司利卡西平。
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