甲磺酰苯扎托品

外观与性状：

白色,结晶粉末,无臭或近乎于无臭

熔点：

135 °C(lit.)

沸点：

547.8ºC at 760 mmHg

闪点：

285.1ºC

蒸汽压：

7.83E-13mmHg at 25°C

海关代码：

2933990090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R23/24/25

安全说明：

S36/37/39-S45

RTECS号：

YM3150000

安全标志：

S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T: Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

YM3150000

CHEMICAL NAME :

1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-, methanesulfonate

CAS REGISTRY NUMBER :

132-17-2

LAST UPDATED :

199504

DATA ITEMS CITED :

11

MOLECULAR FORMULA :

C21-H25-N-O.C-H4-O3-S

MOLECULAR WEIGHT :

403.58

WISWESSER LINE NOTATION :

T56 A ANTJ A1 GOYR&R &OSW1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

100 ug/kg

TOXIC EFFECTS :

Behavioral - toxic psychosis

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

65 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

940 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 - rat

DOSE/DURATION :

353 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

91 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 :

103 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 :

24 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

33 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

80 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - parasympatholytic

MUTATION DATA

TYPE OF TEST :

DNA adduct

TEST SYSTEM :

Bacteria - Escherichia coli

DOSE/DURATION :

10 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,95,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5595 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1071 (estimated) No. of Female Employees: 681 (estimated)

毒理学数据：

1、急性毒性： 人经口TDLO：100ug/kg

小鼠经腹腔LD5O：65mg/kg

大鼠经口LD5O：940mg/kg

大鼠经皮下LD5O：353mg/kg

小鼠经口LD5O：91mg/kg

小鼠经皮下LD5O：103mg/kg

小鼠经静脉LD5O：24mg/kg

猫经静脉LDLO：33mg/kg

豚鼠经皮下LD5O：80mg/kg

2、致突变：大肠杆菌DNA加合物：10umol/L

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%

计算化学数据

1、   疏水参数计算参考值（XlogP）：

2、   氢键供体数量：1

3、   氢键受体数量：5

4、   可旋转化学键数量：4

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：66.8

7、   重原子数量：28

8、   表面电荷：0

9、   复杂度：433

10、同位素原子数量：0

11、确定原子立构中心数量：2

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：2

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  甲磺酰苯扎托品红外图谱(IR1)
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  甲磺酰苯扎托品红外图谱(IR2)
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  甲磺酰苯扎托品质谱(MS)