盐酸格拉司琼

盐酸格拉司琼 基本信息
CAS号 107007-99-8 分子式 C18H25ClN4O
分子量 348.87000 精确质量 　348.17200
PSA 　50.16000 LogP 　3.44920
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
107007-99-8
3D弹球模型：
立即前往扯扯看
分子式：
C18H25ClN4O
分子量：
348.87000
中文名称：
盐酸格拉司琼
英文名称：
Granisetron hydrochloride
中文别名：
盐酸格拉司琼;
1-甲基-N-[内向-9-甲基-9-氮杂双环(3,3,1)壬烷-3-基]-lH-吲唑-3-甲酰胺盐酸盐;
N-(内-9-甲基-9-氮杂二环[3,3,1]壬-3-基)-吲哚-3-羧酰胺盐酸盐;
1-甲基-N-[内向-9-甲基-9-氮杂双环[3.3.1]壬烷-3-基]-1H-吲唑-3-甲酰胺盐酸盐;
格拉司琼盐酸盐;
桥-N-(9-甲基-9-氯杂二环[3.3.1]壬-3-基)-1-甲基-1H-吲唑-3-羧酰胺盐酸盐;
1-甲基-N-[(3-endo)-9-甲基-9-氮杂双环[3.3.1]壬-3-基]-1H-吲哚-3-甲酰胺盐酸盐
英文别名：
Granisetron hydrochloride;
1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide;
1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide,hydrochloride;
Granisetron Hydrochloride
精确分子量/精确质量：
348.17200
极性分子表面积/PSA：
50.16000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD01747034
InChI：
InChI=1/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-

生产制备方法及用途展开↓

制备方法

化合物(I)和化合物(Ⅱ)反应，即得格拉司琼。用氯化氢-乙醇酸化，得到盐酸格拉司琼。

合成制备方法

化合物(I)和化合物(Ⅱ)反应，即得格拉司琼。用氯化氢-乙醇酸化，得到盐酸格拉司琼。

用途简介

5-HT3受体拮抗剂，止吐药，用于治疗或化疗引起的呕吐。

用途

为外周及中枢神经系统中5-羟色胺3(5-HT3)的选择性拮抗剂。用于细胞毒药物或放疗引起的恶心和呕吐。

物化性质展开↓

外观与性状：
白色至灰白色结晶固体
密度：
1.33g/cm3
熔点：
290-292°C
沸点：
532ºC at 760mmHg
闪点：
275.6ºC
折射率：
1.69
蒸汽压：
0mmHg at 25°C
其它信息：

1.性状：白色或微黄白色结晶性粉末，无臭。

2.熔点（℃）：290-292。

3.溶解度：易溶于水，较难溶于甲醇，极难溶于乙醇，几不溶于乙醚。

安全信息展开↓

海关代码：
2933990090
危险类别码：
R22
安全说明：
26-36-37
RTECS号：
NK7882200
危险标志：
Xn: Harmful;Xi: Irritant;

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    盐酸格拉司琼

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    外向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷

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    1-甲基-1H-吲唑-3-甲酰氯

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    盐酸格拉司琼

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK7882200
CHEMICAL NAME :
1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-, monohydrochloride, endo-
CAS REGISTRY NUMBER :
107007-99-8
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C18-H24-N4-O.Cl-H
MOLECULAR WEIGHT :
348.92

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Behavioral - muscle contraction or spasticity
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Gastrointestinal - nausea or vomiting
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4500 mg/kg/30D-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in leukocyte (WBC) count Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18200 mg/kg/26W-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in platelet count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
325 mg/kg/30D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - ptosis Behavioral - tremor
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
52 mg/kg
SEX/DURATION :
male 10 week(s) pre-mating female 2 week(s) pre-mating - 19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
1500 mg/L
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 24,6795,1990
毒理学数据：

急性毒性LD50、雌小鼠，雄、雌大鼠(mg/kg)：17，25，14，16静脉注射。

MSDS 展开↓

  Granisetron Hydrochloride      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        Granisetron Hydrochloride    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 4    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Harmful if swallowed    
  Precautionary statements:
  [Prevention]        Do not eat, drink or smoke when using this product.    
    Wash hands thoroughly after handling.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
  [Response]
    Rinse mouth.
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Granisetron Hydrochloride    
  Percent:        >98.0%(LC)(T)    
  CAS Number:        107007-99-8    
  Synonyms:        1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-    
    carboxamide Hydrochloride
  Chemical Formula:        C18H24N4O·HCl    
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Granisetron Hydrochloride
Section 4. FIRST AID MEASURES
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder    
  Colour:        White - Almost white    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:292°C (dec.)
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Granisetron Hydrochloride
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:
Section 11. TOXICOLOGICAL INFORMATION
    orl-rat LD50:350 mg/kg
  Acute Toxicity:
    ivn-rat LD50:14 mg/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: mmo-sat 5 gm/L (+S9)
    cyt-hmn-lym 1500 mg/L
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:
  RTECS Number:        NK7882200    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a 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 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  Granisetron Hydrochloride
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2933990090

概述：
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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    外向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷

  • 106649-02-9

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