2H-1,4-Benzodiazepin-2-one,1,3-dihydro-7-nitro-5-phenyl- 硝西泮溶液,100ppm

CAS 146-22-5 MFCD00058577

化学结构图

146-22-5
SMILES: [O-][N+](=O)C1C=C2C(=NCC(=O)NC2=CC=1)C1C=CC=CC=1

化学属性

Mol. FormulaC15H11N3O3
Mol. Weight281.29
Appearance 淡黄色片状结晶。熔点226-229℃(分解)。溶于乙醇、丙酮、氯仿、乙酸乙酯、二氯甲烷,不溶于水、乙醚、苯和已烷。无臭,无味。

别名和识别编码

Chemical NameNitrazepam
CAS Number146-22-5
Synonym 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one Sonnolin Mogadan 1,3-dihydro-7-nitro-5-phenyl-2h-4-benzodiazepin-2-one 5-苯基-7-硝基-1,3-二氢-2H-1,4-苯并二氮卓-2-酮 Eunoktin Hipsal Dormin-5 Neozepam 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one NITRAZEPAM Hipnax Nitrados Ro 5-3059 Epinelbon Ro 4-5360 Mogadon Dumolid Apodorm 1,3-二氢-7-硝基-5-苯基-2H-1,4-苯并二氮杂酮-2 Paxisyn 5-苯基-7-硝基-1,3-二氢-2H-1,4-苯并二氮杂卓-2-酮 Benzalin Nitrenpax 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl- 硝基安定 Relact 消酮 NSC-58775 Mogadone 1H-1,4-Benzodiazepin-2(3H)-one, 7-chloro-3-isopropyl-5-phenyl- Eunoctin Radedorm 1,3-dihydro-7-nitro-5-phenyl-2h-1,4-benzodiazepin-2-one LA 1 Cerson Eatan Nitrazepam Pelson 硝西泮 Calsmin Epibenzalin
MDL NumberMFCD00058577
PubChem Substance ID24897666
EC Number205-665-2
Chemical Name Translation硝西泮溶液,100ppm
Wiswesser Line NotationT67 GMV JN IHJ CNW KR
Beilstein Registry Number0757185
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分类

  • Amines
  • Aromatics
  • Heterocycles
  • Neurochemicals
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Benzodiazepines and Anxiolytics, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, N, Neurobiology, Neuroscience, Pharmacologicals

产品应用

  • Anticonvulsant; hypnotic.

相关文献及参考

  • Rieder, et al.: Arzneim.-Forsch., 23, 212 (1973),
  • Kangas, L., Acta Pharmacol. Toxicol., 45, 16 (1979),

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSDF2450000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Class6.1(b)
UN Number 3249
Restrict {} 精神药品 精麻类化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 825 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   18,185,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 520 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
   D.H. Efron, Washington, DC, 1972  Volume(issue)/page/year: -,165,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >400 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
REFERENCE :
   SMWOAS Schweizerische Medizinische Wochenschrift.  (Schwabe & Co.,
   Steintorst 13, 4010 Basel, Switzerland)  V.50-    1920-
   Volume(issue)/page/year: 95,334,1965

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 per

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 733 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 20,952,1977

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1667 ug/plate
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 18,12,1987

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 2 mg/9D
REFERENCE :
   SOGEBZ Soviet Genetics.  English translation of GNKAA5.  (Plenum Pub. Corp.,
   233 Spring St., New York, NY 10013)  V.2-    1966- Volume(issue)/page/year:
   11,718,1975

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5000 PPM
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    1932-  Volume(issue)/page/year:
   57,682,1988

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 300 mg/kg/15D (Continuous)
REFERENCE :
   CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK)  V.1- 1969- 
   Volume(issue)/page/year: 36,45,1983

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 300 mg/kg/15D (Intermittent)
REFERENCE :
   INDRBA Indian Drugs.  (Indian Drugs Manufacturers' Assoc., 102B, Poonam
   Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India)  V.1-    1963-
   Volume(issue)/page/year: 22,410,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 8 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 46,437,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 69,59,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 69,59,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE

其他信息

  • 图谱信息:硝西泮(146-22-5)核磁图( 13 CNMR) 硝西泮(146-22-5)质谱(MS) 硝西泮(146-22-5)红外图谱(IR2) 硝西泮(146-22-5)红外图谱(IR1) 硝西泮(146-22-5)核磁图( 1 HNMR)
  • 上游原料:乌洛托品 --> 苯甲酰氯 --> 氯乙酰氯 --> 4-氯苯胺 --> 氯乙酰胺 --> 2-氨基-5-硝基二苯甲酮
  • 方法一:2-氨基-5-硝基二苯酮(见02420)溶于干燥的苯,搅拌下滴加氯乙酰氯,升温回流4h,生成2-氯乙酰胺基-5-硝基二苯酮。将基与六次甲基四胺和乙醇加热回流20h,然后蒸馏回收乙醇,过滤得到粗品,再经脱以重结晶,得硝西泮成品。
  • MOL 文件:146-22-5.mol
  • Sigma Aldrich:146-22-5(sigmaaldrich)
  • 用途一:该品为苯二氮类药,具有催眠、松驰肌肉、抗惊厥和抗焦虑作用。服药15-30min入睡,持续6-8h,接近自然睡眠。

系列性分类


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