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136765-45-2 分子结构
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7-nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

ChemBase编号:1373
分子式:C15H11N3O3
平均质量:281.26614
单一同位素质量:281.08004123
SMILES和InChIs

SMILES:
O=C1Nc2c(C(=NC1)c1ccccc1)cc([N+](=O)[O-])cc2
Canonical SMILES:
O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1
InChI:
InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
InChIKey:
KJONHKAYOJNZEC-UHFFFAOYSA-N

引用这个纪录

CBID:1373 http://www.chembase.cn/molecule-1373.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
7-nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC传统名
nitrazepam
novanox
7-nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
商标名
Magadon
Megadon
Mitidin
Mogadan
Mogadon
Mogadone
Nelbon
Nelmat
Neozepam
Neuchlonic
Nitrados
Nitravet
Nitrazadon
Nitrazepam-10
Nitrazepam-5
Nitrempax
Nitrenpax
Noctesed
Pacisyn
Paxisyn
Pelson
Persopit
Radedorm
Relact
Remnos
Sandoz nitrazepam
Somitran
Somnased
Somnibel
Somnite
Sonebon
Sonebon tofraniln a
Sonnolin
Surem
Trazenin
Unisomnia
Alodorm
Atempol
Benzalin
Calsamin
Calsmin
Cerson
Dormicum
Dormin-5
Dormo-puren
Dumolid
Eatan
Eatan n
Epibenzalin
Epinelbon
Eunoctin
Eunoktin
Gerson
Hipnax
Hipsal
Ibrovek
Imeson
Imesont
Insomin
Ipersed
LA 1 (VAN)
Apo-nitrazepam tablets BP
Apodorm
Alodorm, Arem, Insoma, Mogadon, Nitrados, Nitrazadon, Ormodon, Paxadorm, Remnos, and Somnite
别名
1, 3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-on
7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
N-desmethylnimetazepam
Nitrazepamum [inn-latin]
NTZ
Nitrazepam
Nitrazepam
LA 1
Ro 4-5360
Benzalin
Calsmin
Dormicum
Eatan
Eunoctin
Imeson
Mogadan
Surem
Unisomnia
1,3-Dihydro-7-nitro-5-(phenyl-d5)-2H-1,4-benzodiazepin-2-one
7-Nitro-5-(phenyl-d5)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Benzalin-d5
Calsmin-d5
Eatan-d5
Eunoctin-d5
Mogadon-d5
Remnos-d5
Ro 4-5360-d5
Nitrazepam-d5
Mogadon
Remnos
Radedorm
CAS号
136765-45-2
146-22-5
EC号
205-665-2
MDL号
MFCD00058577
PubChem SID
46505806
160964833
24897666
PubChem CID
4506
ATC码
N05CD02
CHEMBL
13209
Chemspider ID
4350
DrugBank ID
DB01595
KEGG ID
D00531
美国药典/FDA物质标识码
9CLV70W7HS
维基百科标题
Nitrazepam

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 11.899601  质子受体
质子供体 LogD (pH = 5.5) 2.5474064 
LogD (pH = 7.4) 2.54794  Log P 2.54796 
摩尔折射率 79.2159 cm3 极化性 28.4949 Å3
极化表面积 87.28 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 1.95  LOG S -3.97 
溶解度 2.99e-02 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
Chloroform expand 查看数据来源
Dichloromethane expand 查看数据来源
Dimethyl Sulfoxide expand 查看数据来源
DMSO expand 查看数据来源
Ethanol expand 查看数据来源
Ethyl Acetate expand 查看数据来源
Methanol expand 查看数据来源
外观
Tan Solid expand 查看数据来源
Yellow Solid expand 查看数据来源
熔点
217-2200C (dec.) expand 查看数据来源
223-227°C expand 查看数据来源
疏水性(logP)
2.25 [HANSCH,C ET AL. (1995)] expand 查看数据来源
保存条件
Controlled Substance, -20°C Freezer expand 查看数据来源
RTECS编号
DF2450000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
22 expand 查看数据来源
安全公开号
36/37/39 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
毒品管制信息
USDEA Schedule IV; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand 查看数据来源
给药途径
Oral expand 查看数据来源
生物利用度
53-94% expand 查看数据来源
排泄
Renal expand 查看数据来源
半衰期
16-38 hours expand 查看数据来源
代谢
Hepatic expand 查看数据来源
法定药品分级
Schedule IV (International) expand 查看数据来源
妊娠期药物分类
D (Australia) expand 查看数据来源
D (US) expand 查看数据来源
生物活性机理
Benzodiazepine receptor agonist expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Anticonvulsant expand 查看数据来源
Hypnotic expand 查看数据来源
Nitrazepam is a sedative used to treat insomnia expand 查看数据来源
Nitrazepam is in the group of drugs known as benzodiazepines, a class of antidepressants, anti-panic agents, and muscle relaxants expand 查看数据来源
Tranquilliser expand 查看数据来源
Empirical Formula (Hill Notation)
C15H11N3O3 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB01595 external link
Item Information
Drug Groups approved
Description A benzodiazepine derivative used as an anticonvulsant and hypnotic.
Indication Used to treat short-term sleeping problems (insomnia), such as difficulty falling asleep, frequent awakenings during the night, and early-morning awakening.
Pharmacology Nitrazepam is a type of benzodiazepine drug. It is a powerful hypnotic drug which possesses strong sedative, anxiolytic, amnestic, anticonvulsant, and skeletal muscle relaxant properties. Nitrazepam shortens the time required to fall asleep and lengthens the duration of sleep. It is also useful for the management of myoclonic seizures.
Toxicity Nitrazepam is a drug which is very frequently involved in drug intoxication, including overdose. Nitrazepam overdose may result in stereotypical symptoms of benzodiazepine overdose including intoxication, impaired balance, slurred speech. In cases of severe overdose this may progress to a comatose state with the possibility of death.
Affected Organisms
Humans and other mammals
Absorption Bioavailability is 53-94% following oral administration.
Half Life 15-38 hours (mean elimination half life 26 hours).
References
Rickels K: The clinical use of hypnotics: indications for use and the need for a variety of hypnotics. Acta Psychiatr Scand Suppl. 1986;332:132-41. [Pubmed]
Robertson MD, Drummer OH: Postmortem drug metabolism by bacteria. J Forensic Sci. 1995 May;40(3):382-6. [Pubmed]
Oelschlager H: [Chemical and pharmacologic aspects of benzodiazepines] Schweiz Rundsch Med Prax. 1989 Jul 4;78(27-28):766-72. [Pubmed]
Podhorna J, Krsiak M: Behavioural effects of a benzodiazepine receptor partial agonist, Ro 19-8022, in the social conflict test in mice. Behav Pharmacol. 2000 Apr;11(2):143-51. [Pubmed]
Nowakowska E, Chodera A: Studies on the involvement of opioid mechanism in the locomotor effects of benzodiazepines in rats. Pharmacol Biochem Behav. 1991 Feb;38(2):265-6. [Pubmed]
External Links
Wikipedia
Sigma Aldrich -  N3889 external link
Biochem/physiol Actions
Hypnotic; ligand for the GABAA receptor benzodiazepine modulatory site.
Toronto Research Chemicals -  N490140 external link
Anticonvulsant; hypnotic.Controlled substance (depressant).
Toronto Research Chemicals -  N490142 external link
Anticonvulsant; hypnotic.Controlled substance (depressant).

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Rickels K: The clinical use of hypnotics: indications for use and the need for a variety of hypnotics. Acta Psychiatr Scand Suppl. 1986;332:132-41. Pubmed
  • Robertson MD, Drummer OH: Postmortem drug metabolism by bacteria. J Forensic Sci. 1995 May;40(3):382-6. Pubmed
  • Oelschlager H: [Chemical and pharmacologic aspects of benzodiazepines] Schweiz Rundsch Med Prax. 1989 Jul 4;78(27-28):766-72. Pubmed
  • Podhorna J, Krsiak M: Behavioural effects of a benzodiazepine receptor partial agonist, Ro 19-8022, in the social conflict test in mice. Behav Pharmacol. 2000 Apr;11(2):143-51. Pubmed
  • Nowakowska E, Chodera A: Studies on the involvement of opioid mechanism in the locomotor effects of benzodiazepines in rats. Pharmacol Biochem Behav. 1991 Feb;38(2):265-6. Pubmed
  • Rieder, et al.: Arzneim.-Forsch., 23, 212 (1973)
  • Kangas, L., Acta Pharmacol. Toxicol., 45, 16 (1973)
  • Aboul-Enein, H.Y., et al.: Anal. Profiles Drug Subs., 9, 487 (1980).
  • Rieder, et al.: Arzneim.-Forsch., 23, 212 (1973)
  • Kangas, L., Acta Pharmacol. Toxicol., 45, 16 (1973)
  • Aboul-Enein, H.Y., et al.: Anal. Profiles Drug Subs., 9, 487 (1973)
  • Sternbach, L.H. et al., J. Med. Chem., 1963, 6, 261
  • Rieder, J. et al., Arzneim.-Forsch., 1973, 23, 212, (metab)
  • Gilli, G. et al., Acta Cryst. B, 1977, 33, 2664, (cryst struct)
  • Killam, E.K. et al., Adv. Neurol., 1980, 27, 597, (rev, pharmacol)
  • Aboul-Enein, H.Y. et al., Anal. Profiles Drug Subst., 1980, 9, 487, (rev)
  • Clarke, G.M. et al., J. Chem. Res., Synop., 1980, 400, (synth)
  • Haran, R. et al., J. Het. Chem., 1980, 17, 1483, (pmr, cmr)
  • Hannoun, M. et al., J. Het. Chem., 1981, 18, 963, (synth)
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 3435, (synonyms)
  • Baruzzi, A. et al., Antiepileptic Drugs, (Eds. Levy, R. et al), Raven Press, New York, 1989, 785
  • Benzodiazepines, Current Concepts, Biological, Clinical and Social Perspectives, eds. Hindmarch, I. et al, J. Wiley, 1990, (book)
  • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 606
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DLY000
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