苏拉明钠

苏拉明钠 基本信息
CAS号 129-46-4 分子式 C51H40N6O23S6.6Na
分子量 1435.22613 精确质量 　1433.98554
PSA 　551.01000 LogP 　11.61040
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
129-46-4
3D弹球模型：
立即前往扯扯看
分子式：
C51H40N6O23S6.6Na
分子量：
1435.22613
中文名称：
苏拉明钠
英文名称：
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, sodium salt (1:6)
中文别名：
苏拉明钠;
8,8'-碳酰双亚氨-3,1-亚苯基碳酰亚氨-(4-甲基-3,1-亚苯基)碳酰亚氨双-1,3,5-萘三磺酸六钠;
苏拉明
英文别名：
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, sodium salt (1:6);
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, hexasodium salt (9CI);
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[ureylenebis[m-phenylenecarbonylimino(4-methyl-m-phenylene)carbonylimino]]di-, hexasodium salt (8CI);
309F;
8,8'-[Ureylenebis[m-phenylene carbonylimino(4-methyl-m-phenylene)carbonylimino]]di(1,3,5-naphthalenetrisulfonic acid) hexasodium salt;
Antrypol;
BAY 205;
Bayer 205;
CI 1003;
Fourneau 309;
Germanin;
Germanin (pharmaceutical);
Hexasodium sym.-bis(m-aminobenzoyl)-m-amino-p-methylbenzoyl-1-naphthylamino-4,6,8-trisulfonate) carbamide;
Moranyl;
NF 060;
Naganin;
Naganine;
Naphuride;
Naphuride sodium;
Sodium suramin;
Suramin hexasodium;
Suramin sodium;
Suramine sodium
精确分子量/精确质量：
1433.98554
极性分子表面积/PSA：
551.01000
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：
MFCD00210217
EINECS：
204-949-3
PubChem：
24277738
BRN：
3694087
InChI：
InChI=1/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-

物化性质展开↓

外观与性状：
白色
水溶解性：
可溶

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22:Harmful if swallowed. R36/38:Irritating to eyes and skin .
安全说明：
22-24/25
RTECS号：
QM7000000
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志：
Xn

合成路线查看所有的合成路线

  • 10397-30-5

    4-甲基-3-硝基苯甲酰氯

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  • 129-46-4

    苏拉明钠

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QM7000000
CHEMICAL NAME :
1,3,5-Naphthylenetrisulfonic acid, 8,8'-(ureylenebis(m-phenylenecarbonylimino(4-methyl- m-phenylene)carbonylimino))di-, hexasodium salt
CAS REGISTRY NUMBER :
129-46-4
LAST UPDATED :
199512
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C51-H34-N6-O23-S6.6Na
MOLECULAR WEIGHT :
1429.21
WISWESSER LINE NOTATION :
L66J BSWQ DSWQ GSWQ JMVR D1 CMVR CMVMR CVMR B1 EVM- JL66J BSWQ DSWQ GSWQ &-NA- 6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BBRCA9 Biochemical and Biophysical Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 136,64,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
620 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1423,1989 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
252 mg/kg/7W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - other changes
REFERENCE :
IVIVE4 In Vivo. (POB 51359, Kiffisia, GR-145 10, Greece) V.1- 1987- Volume(issue)/page/year: 6,617,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1750 mg/kg/7D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
BBRCA9 Biochemical and Biophysical Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 136,64,1986
毒理学数据：

1、急性毒性：小鼠经腹腔LD5O：750mg/kg

小鼠经静脉LD5O：620mg/kg

2、其他多剂量毒性：大鼠经腹腔TDLO：252mg/m3/7W-I

小鼠经腹腔TDLO：1750mg/m3/7D-I

MSDS 展开↓

Name: Suramin.hexasodium salt Material Safety Data Sheet
Synonym:
CAS: 129-46-4
Section 1 - Chemical Product   MSDS Name:Suramin.hexasodium salt Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
129-46-4 Suramin.hexasodium salt 204-949-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep refrigerated. (Store below 4C/39F.)
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 129-46-4: Personal Protective Equipment Eyes: Not available.
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: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C51H34N6O23S6Na6
Molecular Weight: 1428.5632
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 129-46-4: QM7000000 LD50/LC50:
Not available.
Carcinogenicity:
Suramin.hexasodium salt - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
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.
WGK (Water Danger/Protection)
CAS# 129-46-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 129-46-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 129-46-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:6

3.氢键受体数量:23

4.可旋转化学键数量:10

5.互变异构体数量:155

6.拓扑分子极性表面积551

7.重原子数量:92

8.表面电荷:0

9.复杂度:2940

10.同位素原子数量:0

11.确定原子立构中心数量:0

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:7

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