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87-33-2生产厂家

87-33-2价格

87-33-2

87-33-2结构式
87-33-2结构式

化源商城直购

中文名 硝酸异山梨酯
英文名 isosorbide dinitrate
中文别名 异山梨醇硝酸酯
1,4:3,6-二脱水-D-山梨醇二硝酸酯
英文别名 Isorbid
Canranil
vasotrate
isosorbide dinitrate
1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glucitol
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
(3R,3aS,6S,6aS)-Hexahydrofuro[3,2-b]furan-3,6-diyldinitrat
Nitrol (VAN)
NITROL
MFCD00868238
dinitrate de (3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furane-3,6-diyle
(3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furan-3,6-diyl dinitrate
EINECS 201-740-9
描述 Isosorbide dinitrate (ISDN) 是一种 NO 供体,能防止心肌梗死 (MI) 引起的左室重构和心功能退化。
相关类别
体内研究 硝酸异山梨酯(3 mg/kg;气管内;13天)改善心肌梗死后心力衰竭大鼠模型的肺动脉压和心室重构[1]。硝酸异山梨酯后处理对大鼠心肌缺血再灌注损伤具有保护作用[2]。动物模型:5-6周龄雄性幼年Sprague-Dawley大鼠(200-250g)[1]剂量:3mg/kg给药:气管内给药;冠脉结扎后13天结果:心肌缩小,心肌梗死后左、右心室重构减轻。
参考文献

[1]. Wang X , et al. Intratracheal administration of isosorbide dinitrate improves pulmonary artery pressure and ventricular remodeling in a rat model of heart failure following myocardial infarction. Exp Ther Med. 2017 Aug;14(2):1399-1408.

[2]. Zhao X, et al. Cardioprotective Effect of Isosorbide Dinitrate Postconditioning Against Rat Myocardial Ischemia-Reperfusion Injury In Vivo. Med Sci Monit. 2019 Mar 2;25:1629-1636.

密度 1.7±0.1 g/cm3
沸点 365.9±42.0 °C at 760 mmHg
熔点 700C
分子式 C6H8N2O8
分子量 236.136
闪点 186.6±29.9 °C
精确质量 236.028061
PSA 128.56000
LogP 0.90
外观性状 白色结晶粉末
蒸汽压 0.0±0.8 mmHg at 25°C
折射率 1.538
储存条件 库房低温通风干燥,防火,与氧化剂分开存放
分子结构

1、 摩尔折射率:44.69

2、 摩尔体积(cm3/mol):142.9

3、 等张比容(90.2K):402.1

4、 表面张力(dyne/cm):62.6

5、 极化率(10-24cm3):17.71

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积129

7.重原子数量:16

8.表面电荷:0

9.复杂度:268

10.同位素原子数量:0

11.确定原子立构中心数量:4

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:1

更多

1. 性状:白色结晶性粉末。无嗅

2. 密度(g/mL,25/4℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):70

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):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(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):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:易溶于氯仿、丙酮,略溶于乙醇,微溶于水

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LZ4385000
CAS REGISTRY NUMBER :
87-33-2
LAST UPDATED :
199703
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C6-H8-N2-O8
MOLECULAR WEIGHT :
236.16
WISWESSER LINE NOTATION :
T55 BO FOTJ DONW HONW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
100 ug/kg
TOXIC EFFECTS :
Behavioral - coma Cardiac - pulse rate Cardiac - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
747 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
670 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1237 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>40 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1050 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
720 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1050 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 :
>40 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1080 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 - rabbit
DOSE/DURATION :
>40 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1109 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
260 mg/kg
SEX/DURATION :
female 6-22 day(s) after conception lactating female 20 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - sex ratio

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - mouse Mammary gland
DOSE/DURATION :
1 mmol/L/48H (Continuous)
REFERENCE :
JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 5,141,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3175 No. of Facilities: 171 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 2416 (estimated) No. of Female Employees: 1332 (estimated)

符号 GHS07
GHS07
信号词 Warning
危害声明 H302
警示性声明 P301 + P312 + P330
危害码 (欧洲) Xn:Harmful;
风险声明 (欧洲) R5;R22
安全声明 (欧洲) S36
危险品运输编码 UN 2907
包装等级 II
危险类别 1.1A
海关编码 3004909090

~91%

87-33-2结构式

87-33-2

文献:Bhar, Debjani; Chandrasekaran, Srinivasan Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1997 , vol. 36, # 9 p. 793 - 795
上游产品  1

下游产品  2

1.山梨醇溶液经脱水环合,与硝酸酯化而得。

2.制法:

于装有搅拌器、温度计的反应瓶中,加入发烟硝酸50g,浓硫酸7.5g,搅拌下冷却至10℃,慢慢滴加由脱水山梨醇(2)10g(固体)与1mL水微热溶解得到的液体,保持反应液温度在10~15℃,加完后保温反应2h。搅拌下将反应物倒入7倍量的冰水中,充分搅拌析晶。抽滤,水洗至中性,干燥,得粗品。将粗品加入1.5倍量的95%的乙醇中,加热溶解,活性炭脱色回流30min。趁热抽滤,冷至10℃以下,抽滤析出的结晶,乙醇洗涤,低温干燥,得硝酸异山梨醇酯(1),收率70%。

海关编码 2932999099
中文概述 2932999099. 其他仅含氧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
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%