盐酸吉西他宾,122111-03-9，生产厂家，价格-洛克化工网移动版

盐酸吉西他宾

中文名称：: 盐酸吉西他宾

中文别名：: 盐酸吉西他滨;
盐酸吉西他宾;
4-氨基-1-(3,3-二氟-4-羟基-5-羟甲基四氢呋喃-2-基)-1H-嘧啶-2-酮盐酸盐

英文名称：: Gemcitabine Hydrochloride

英文别名：: gemcitabine hydrochloride;
Gemcitabine hydrochloride;
GeMcitabine Hydrochloride;
Gemcitabine HCl(TABINES);
2'-Deoxy-2',2'-difluorocytidine;
dFdC,Gemzar,Lilly);
dFdC Gemzar (Lilly) LY-188011 dFdC dFdCyd

CAS No.：: 122111-03-9

分子式：: C₉H₁₂ClF₂N₃O₄

分子量：: 299.66

精确分子量：: 299.04800

PSA：: 110.60000

InChI：: InChI=1/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H3

风险术语：: 21-36/38-46-62-63

分子结构式：

SDS：: 查看

盐酸吉西他宾制备方法及用途

制备方法

抗肿瘤药，用于治疗中、晚期非小细胞肺癌。

用途简介

盐酸吉西他宾物化性质

熔点：: >250°C dec.
沸点：: 482.7ºC at 760 mmHg
闪点：: 245.7°C
蒸汽压：: 2.41E-11mmHg at 25°C
其它信息：: 1.        性状：未确定

2.         密度（g/mL,20℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：>250

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC,KPa）：未确定

7.         折射率：未确定

8.         闪点（ºC）：未确定

9.         比旋光度（º）：未确定

10.      自燃点或引燃温度（ºC）：未确定

11.      蒸气压（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：未确定

13.      燃烧热（KJ/mol）：未确定

14.      临界温度（ºC）：未确定

15.      临界压力（KPa）：未确定

16.      油水（辛醇/水）分配系数的对数值：未确定

17.      爆炸上限（%,V/V）：未确定

18.      爆炸下限（%,V/V）：未确定

19.     溶解性：未确定

盐酸吉西他宾安全信息

海关代码：: 2934999090
危险类别码：: R21
安全说明：: 25-26-36/37-53
危险标志：: Xi: Irritant;

盐酸吉西他宾毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HA3840000

CHEMICAL NAME :: Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride

CAS REGISTRY NUMBER :: 122111-03-9

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H11-F2-N3-O4.Cl-H

MOLECULAR WEIGHT :: 299.69

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 15 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - parturition Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

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: 48,365,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 15 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

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: 48,365,1993

毒理学数据：: 生殖毒性：受孕6-15天的小鼠静脉注射TDLo：15mg/kgSEX/DURATION；

盐酸吉西他宾 MSDS

Section I.Chemical Product and Company Identification
    Chemical Name Gemcitabine Hydrochloride
    Portland OR
    Synonym        Cytidine, 2'-deoxy-2',2'-difluoro-, hydrochloride (1:1)
    (CA INDEX NAME)
    Chemical Formula        C9H11F2N3O4 · HCl
    CAS Number        122111-03-9

Section II.        Composition and Information on Ingredients
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL
    Min. 98.0 Not available.        Rat LD50 (intravenous) 236 mg/kg
    Gemcitabine Hydrochloride        122111-03-9
    (HPLC,N)        Mouse LD50 (intravenous) 500
    mg/kg

Section III. Hazards Identification
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    Acute Health Effects
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive effects.
    Mouse TDLo Intravenous 15 mg/kg, female 6-15 days of pregnancy
    Toxic Effects:
    Maternal Effects - Parturition
    Effects on Fertility - Post-implantation mortality
    Effects on Fertility - Litter size
    Mouse TDLo Intravenous 15 mg/kg, female 6-15 days of pregnancy
    Toxic Effects:
    Maternal Effects - Other effects
    Effects on Embryo or Fetus - Fetotoxicity
    Effects on Embryo or Fetus - Fetal death
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data
    Not available.
    May be combustible at high temperature.        Auto-Ignition
    Flammability
    Flash Points        Flammable Limits        Not available.
    Not available.
    These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), halogenated compounds.
    Combustion Products
    WARNING: Highly toxic HCl gas is produced during combustion.
    WARNING: Highly toxic HF gas is produced during combustion.
    Fire Hazards
    Not available.
    Continued on Next Page
    Gemcitabine Hydrochloride
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures
    Spill Cleanup        Irritating material. This material is a reproductive effector.
    Use a shovel to put the material into a convenient waste disposal container. Consult federal, state, and/or local authorities for
    Instructions
    assistance on disposal.

Section VII. Handling and Storage
    IRRITANT. REPRODUCTIVE EFFECTOR. Keep away from heat. Mechanical exhaust required. When not in use, tightly
    Handling and Storage
    seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Not available.
    Exposure Limits

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (White crystalline powder.)        Solubility        Soluble in hot water.
    Not available.
    Specific Gravity
    Molecular Weight        299.66        Partition Coefficient        Not available.
    Boiling Point        Not available.        Not applicable.
    Vapor Pressure
    Melting Point        287 to 292°C (548.6 to 557.6°F) (dec.)        Vapor Density        Not available.
    Not available.        Not available.
    Refractive Index        Volatility
    Critical Temperature        Not available.        Odor        Not available.
    Not available.        Not available.
    Viscosity        Taste

Section X. Stability and Reactivity Data

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.
    Incompatibilities        Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        HA3840000
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Rat LD50 (intravenous) 236 mg/kg
    Toxicity Data
    Mouse LD50 (intravenous) 500 mg/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive effects.
    Mouse TDLo Intravenous 15 mg/kg, female 6-15 days of pregnancy
    Toxic Effects:
    Maternal Effects - Parturition
    Effects on Fertility - Post-implantation mortality
    Effects on Fertility - Litter size
    Mouse TDLo Intravenous 15 mg/kg, female 6-15 days of pregnancy
    Toxic Effects:
    Maternal Effects - Other effects
    Effects on Embryo or Fetus - Fetotoxicity
    Effects on Embryo or Fetus - Fetal death
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Continued on Next Page
    Gemcitabine Hydrochloride
    Acute Toxic Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
    is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).
    PIN Number        Not applicable.
    Proper Shipping Name        Not applicable.
    Packing Group (PG)        Not applicable.
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.
    (Canada)
    EINECS Number (EEC) 601-823-3
    EEC Risk Statements        R36/37/38- Irritating to eyes, respiratory system and skin.
    R60- May impair fertility.
    R61- May cause harm to the unborn child.

SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸吉西他宾海关数据

中国海关编码：2934999090

概述：: 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：: 品名, 成分含量, 用途
摘要/Summary：: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

盐酸吉西他宾分子结构与计算化学数据

计算化学数据

1、疏水参数计算参考值（XlogP）：

2、氢键供体数量：4

3、氢键受体数量：7

4、可旋转化学键数量：2

5、互变异构体数量：3

6、拓扑分子极性表面积（TPSA）：108

7、重原子数量：19

8、表面电荷：0

9、复杂度：426

10、同位素原子数量：0

11、确定原子立构中心数量：3

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：0

14、不确定化学键立构中心数量：0

15、共价键单元数量：2

盐酸吉西他宾上游产品

吉西他滨 2-脱氧-2,2-二氟-3,5-二苯甲酰基-D-呋喃核糖乙酰胺, N-(三甲基甲硅烷基)-N-[2-[(三甲基甲硅烷基)氧代]-4-嘧啶基]- 4-氨基-1-[(2R,4R,5R)-3,3-二氟-4-羟基-5-(羟基甲基)四氢呋喃-2-基]嘧啶-2-酮盐酸盐 N4-乙酰胞嘧啶 [14631-20-0]

盐酸吉西他宾下游产品

3',5'-二苯甲酰基-2',2'-二氟尿苷吉西他滨 2,2-二氟-2-脱氧尿苷 2'-脱氧-3',5'-二-O-[叔丁基二甲基硅烷基]-2',2'-二氟-胞苷