甲泛葡胺

甲泛葡胺 基本信息
CAS号 31112-62-6 分子式 C18H22I3N3O8
分子量 789.09600 精确质量  788.85400
PSA  168.66000 LogP  0.43510

基本信息 展开↓

CAS号:
31112-62-6
3D弹球模型:
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分子式:
C18H22I3N3O8
分子量:
789.09600
中文名称:
甲泛葡胺
英文名称:
Metrizamide
中文别名:
甲泛葡胺;
甲泛影酰胺室椎影阿米派克造影胺;
1H-吡唑-4-腈;
L-3,5-Difluorophe;
3,5-Difluoro-L-phenylalanine;
potassium 3-[(2-methylacryloyl)oxy]propane-1-sulfonate;
2-propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt;
Potassiumsulfopropylmethacrylate;
2-(thiophen-2-yl)ethanamine;
2-thiophen-2-ylethanaminium;
2-(2'-Thienyl)Ethylamine;
2-Thiopheneethylamine;
2-Thiophenethylamine;
Thiophene-2-ethylamine;
1-PIPERIDINECARBOXYLIC ACID, 4-OXO-, ETHYL ESTER;
N-Carbethoxy-4-piperidone;
Butanoic acid, 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)- (9CI);
Butyric acid, 4-(p-chloro-N-(p-methoxyphenyl)benzamido)-;
Clanobutin;
2-chloro-2-methylpropanoic acid;
(S)-a-chloropropionic acid;
(S)-2-Chloropropanoic Acid;
S-(-)-2-Chloropropionic Acid;
N-Aminomethyldopa;
NCGC00024596-01;
S(-)-CARBIDOPA;
SMR000058235;
Tocris-0455;
(2S);
S-(-)-carbidopa
英文别名:
Metrizamide;
METRIZAMIDE,ULTRAPURE;
no)-2-deoxy;
pyranose;
y-d-glucose;
telebrix300;
amipaque
精确分子量/精确质量:
788.85400
极性分子表面积/PSA:
168.66000
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。
EINECS:
250-475-5
InChI:
InChI=1/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7?,13?,15-,16+,18-/m1/s1

物化性质展开↓

外观与性状:
白色粉末
密度:
2.35 g/cm3
熔点:
222-224ºC
沸点:
828.5ºC at 760 mmHg
闪点:
454.8ºC
折射率:
1.761

安全信息展开↓

包装等级:
I; II; III
风险类别:
6.1
安全说明:
22-24/25

合成路线查看所有的合成路线

  • 31209-30-0

    N-Methyl-3,5-diacetamido-2,4,6-triiodobenzoyl chloride

  • +

  • 14131-63-6

    D-Galactosamine hydrochloride

  • +

  • 7440-44-0

    碳黑

  • 31112-62-6

    甲泛葡胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LZ6650000
CHEMICAL NAME :
D-Glucose, 2-(3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)ben zamido)-2-deoxy-
CAS REGISTRY NUMBER :
31112-62-6
LAST UPDATED :
199509
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C18-H22-I3-N3-O8
MOLECULAR WEIGHT :
789.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraspinal
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
143 mg/kg
TOXIC EFFECTS :
Spinal Cord - meningeal changes
REFERENCE :
SMJOAV Southern Medical Journal. (Southern Medical Assoc., POB 2446, Birmingham, AL 35205) V.1- 1908- Volume(issue)/page/year: 77,88,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,842,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,842,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 32,865,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,842,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
135 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - anticonvulsant Behavioral - changes in motor activity (specific assay)
REFERENCE :
RADLAX Radiology. (Radiological Soc. of North America, 20th & Northampton Sts., Easton, PA 18042) V.1- 1923- Volume(issue)/page/year: 140,713,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 9,563,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,842,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9950 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,842,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1534 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INVRAV Investigative Radiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1966- Volume(issue)/page/year: 15,S248,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2910 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
21763 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 335,5,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
207 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>622 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 9,563,1990 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
11456 mg/kg
SEX/DURATION :
female 1-7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
NIIHAO Nichidoku Iho. Japanese-German Medical Reports. (Nihon Scheringu K.K, Gakujutsubu, 6-64, Nishimiyahara, 2-chome, Yodogawa-ku, Osaka 532, Japan) V.1- 1956- Volume(issue)/page/year: 24,277,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
34369 mg/kg
SEX/DURATION :
female 1-7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
NIIHAO Nichidoku Iho. Japanese-German Medical Reports. (Nihon Scheringu K.K, Gakujutsubu, 6-64, Nishimiyahara, 2-chome, Yodogawa-ku, Osaka 532, Japan) V.1- 1956- Volume(issue)/page/year: 24,277,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
54008 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility
REFERENCE :
NIIHAO Nichidoku Iho. Japanese-German Medical Reports. (Nihon Scheringu K.K, Gakujutsubu, 6-64, Nishimiyahara, 2-chome, Yodogawa-ku, Osaka 532, Japan) V.1- 1956- Volume(issue)/page/year: 24,287,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
18003 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
NIIHAO Nichidoku Iho. Japanese-German Medical Reports. (Nihon Scheringu K.K, Gakujutsubu, 6-64, Nishimiyahara, 2-chome, Yodogawa-ku, Osaka 532, Japan) V.1- 1956- Volume(issue)/page/year: 24,287,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5735 No. of Facilities: 234 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 9481 (estimated) No. of Female Employees: 6972 (estimated)

MSDS 展开↓

Name: Metrizamide p.a. Material Safety Data Sheet
Synonym:
CAS: 31112-62-6
Section 1 - Chemical Product   MSDS Name:Metrizamide p.a. Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
31112-62-6 Metrizamide p.a. 100.0 250-475-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Light sensitive.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated. Systemic effects may cause meningeal changes in the spinal cord.
Inhalation:
Inhalation of dust may cause respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 31112-62-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 222.00 - 224.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H22I3N3O8
Molecular Weight: 789.09

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, iodide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 31112-62-6: LZ6650000 LD50/LC50:
CAS# 31112-62-6: Oral, mouse: LD50 = >20 gm/kg; Oral, rat: LD50 = >20 gm/kg.
Carcinogenicity:
Metrizamide p.a. - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 31112-62-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 31112-62-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 31112-62-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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