制备方法

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%。

合成制备方法

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%。^[1]

用途简介

硝酸异山梨酯为血管扩张药，主要药理作用是松弛血管平滑肌。总的效应是使心肌耗氧量减少，供氧量增多，心绞痛得以缓解。临床可用于治疗各种类型冠心病心绞痛和预防发作。静脉滴注可用于治疗充血性心衰，各种类型的高血压急症和手术前高血压的控制。

用途

用于缓解急性心绞痛发作。 预防及治疗心绞痛。冠心病的长期治疗及伴有持久性心绞痛症状的心肌梗塞。慢性肺心病及慢性充血性心衰的辅助治疗。

包装等级：

II

风险类别：

1.1A

海关代码：

3004909090

危险类别码：

R5;R22

安全说明：

S36

安全标志：

S36:穿戴合适的防护服装。

危险标志：

Xn:Harmful;

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)

分子结构数据

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

 

计算化学数据

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