CAS 439-14-5 MFCD00057323-Diazepam 地西泮 TAO{mole}

Diazepam 地西泮

CAS 439-14-5 MFCD00057323

化学结构图

SMILES: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

化学属性

Mol. Formula	C16H13ClN2O
Mol. Weight	284.76
Flash Point	11 °C
Appearance	白色或类白色结晶性粉末。熔点125-126℃。易溶于丙酮、氯仿、石油醚，溶于乙醇，极微溶于水。无臭，味苦。
Solubility	45% (w/v) aq 2-hydroxypropyl-β-cyclode?xtrin: soluble1.6 mg/mL DMF: soluble H2O: slightly soluble ethanol: soluble
Melting Point	131.5-134.5°C

别名和识别编码

Chemical Name	Diazepam
CAS Number	439-14-5
Synonym	2H-1,4-Benzodi 2H-1,4-Benzodiazep 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- 2H-1,4-Benzodiazepine-2-one,7-chloro-1,3-dihydro-1-methyl-5-phenyl- 7 7-CHLORO-1-METHYL-5-PHENYL-3H-1,4-BENZODIAZEPIN-2[1H]-ONE 7-Chloro-1,3-dihydro-1-methyl-5-phenyl 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one 7-Chloro-1-methyl-2-oxo-5-phenyl-3 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4-benzodiazepin-2-one 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-4-benzodiazepin-2-one 7-氯-
PubChem Substance ID	3016
EC Number	207-122-5
MDL Number	MFCD00057323
Chemical Name Translation	地西泮
Wiswesser Line Notation	T67 GNV JN IHJ CG G1 KR
Beilstein Registry Number	0754371
InChI	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

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产品应用

Diazepam is an anxiolytic; muscle relaxant (skeletal); anticonvulsant.

安全信息

GHS Symbol

WGK Germany2

Hazard Codes Xn F,T Xn,T,F

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H301 Toxic if swallowed 吞食有毒
H301+H311
H311 Toxic in contact with skin 皮肤接触中毒
H331 Toxic if inhaled 吸入中毒
H370 Causes damage to organs 导致器官损伤

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P310
P301+P316
P302+P352
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P316
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P361+P364
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

RTECSDF1575000

Safety Statements

S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
R11 Highly flammable 非常易燃
R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险

UN Number UN 2811 6.1/PG 3 2811

Packing GroupIII

Hazard Class6.1(b)

Storage condition 储存温度-20°C 2-8°C

Restrict {} 精神药品精麻类化学品

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 42 gm/kg/80W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   57,39,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 143 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   238,1052,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SP

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 143 ug/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - visual field changes
   Sense Organs and Special Senses (Eye) - diplopia
REFERENCE :
   BCPHBM British Journal of Clinical Pharmacology.  (Blackwell Scientific Pub.
   Ltd., POB 88, Oxford, UK)  V.1-    1974-  Volume(issue)/page/year:
   1,335,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 181 ug/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - muscle contraction or spasticity
   Cardiac - change in rate
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 46500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-ch

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 25 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 287,57,1993

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 25 mg/kg/5D (Intermittent)
REFERENCE :
   CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK)  V.1- 1969- 
   Volume(issue)/page/year: 64,81,1990

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TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 15 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 189,319,1987

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 200 mg
REFERENCE :
   SOGEBZ Soviet Genet

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 75 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 189,319,1987

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1 gm/L/27H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 66,27

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 11600 ug/kg
SEX/DURATION            : female 43 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 30,179,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 5 mg/kg
SEX/DURATION            : female 36 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
REFERENCE :
   BJOGAS British Journal of Obstetrics and Gynaecology.  (Blackwell Scientific
   Pub. Ltd., POB 88, Oxford, UK)  V.82-    1975- Volume(issue)/page/year:
   100,185,1993

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 675 mg/kg
SEX/DURATION            : female 17-22 day(s) after conception
                          lactating female 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 17,787,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500

其他信息

MSDS 信息:7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one(439-14-5).msds
下游产品:聚羟基丁酸酯缓释微球
方法一:由2-氨基-5-氯二苯甲酮经缩合、环合、扩环、甲基化、消除而得。
Diazepam, Ligand at the GABAA receptor benzodiazepine modulatory site. Diazepam is anxiolytic, anticonvulsant and sedative/hypnotic agent.
上游原料:盐酸 --> 丙酮 --> 苯 --> 硫酸二甲酯 --> 乌洛托品 --> 氯乙酰氯 --> 2-氨基-5-氯二苯甲酮
MOL 文件:439-14-5.mol
用途二:弱安定药。具有镇静、催眠、抗焦虑、抗惊厥、抗癫痫及肌肉松驰作用。主要用于治疗焦虑症和一般性失眠，还用于抗癫痫和抗惊厥，还可用作麻醉前给药作为全身麻醉的辅助药。
用途一:中枢神经用药，能安眠、镇静、抗惊厥、抗焦虑
Sigma Aldrich:439-14-5(sigmaaldrich)
图谱信息:地西泮(439-14-5)质谱(MS) 地西泮(439-14-5)红外图谱(IR1) 地西泮(439-14-5)红外图谱(IR2)