cas号： 1695-77-8 ，名称：大观霉素的性质/作用/用途-化学加百科

大观霉素

大观霉素基本信息
CAS号	1695-77-8	分子式	C14H24N2O7
分子量	332.35000	精确质量	332.15800
PSA	129.51000	LogP	-2.14380

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等价的CAS号：

1695-77-8,68889-81-6

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基本信息物化性质安全信息合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 1695-77-8
3D弹球模型：: 立即前往扯扯看
分子式：: C14H24N2O7
分子量：: 332.35000
中文名称：: 大观霉素
英文名称：: spectinomycin
中文别名：: 大观霉素;
壮观霉素盐酸盐;
奇观霉素
英文别名：: spectinomycin;
spectam;
spectinomicina;
espectinomicina;
antibiotic2233wp;
trobicin;
Spectinomycin;
actinospectacin;
togamycin;
Spectacin
精确分子量/精确质量：: 332.15800
极性分子表面积/PSA：: 129.51000
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：: 216-911-3
InChI：: InChI=1/C14H24N2O7.ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;/h5,7-13,15-16,18-20H,4H2,1-3H3;1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1

物化性质展开↓

外观与性状：: 一种白色至淡浅黄色结晶盐酸盐五水化物粉末
密度：: 1.43 g/cm3
熔点：: 185ºC
沸点：: 583.1ºC at 760 mmHg
闪点：: 306.4°C
蒸汽压：: 5.05E-16mmHg at 25°C
其它信息：: 1.       性状：未确定。

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）：未确定

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：未确定

安全信息展开↓

海关代码：: 3003209000

合成路线查看所有的合成路线

21736-83-4

盐酸大观霉素
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1695-77-8

大观霉素

56733-82-5

N,N'-Bis-(carbobenzyloxy)dihydrospectinomycin
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1695-77-8

大观霉素

96699-66-0

96699-66-0
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1695-77-8

大观霉素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ0332500

CHEMICAL NAME :: 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8- bis(methylamino)-

CAS REGISTRY NUMBER :: 1695-77-8

LAST UPDATED :: 199706

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C14-H24-N2-O7

MOLECULAR WEIGHT :: 332.40

WISWESSER LINE NOTATION :: T C666 BO DO GV IOTJ E1 HQ KM1 LQ MM1 NQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,265,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5724 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,265,1972

TYPE OF TEST :: LDLo - Lowest published lethal dose

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 :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85FZAT "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967 Volume(issue)/page/year: -,105,1967

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia Gastrointestinal - nausea or vomiting

REFERENCE :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: >800 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia

REFERENCE :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >40 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,507,1961 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7549 No. of Facilities: 14 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 432 (estimated) No. of Female Employees: 203 (estimated)

毒理学数据：

急性毒性：大鼠口经LD50：20gm/kg；小鼠口经LD50： >5gm/kg；小鼠静脉LD50：2gm/kg；小鼠腹经LD50： 5724 mg/kg

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）:-3.1

2.氢键供体数量:5

3.氢键受体数量:9

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积130

7.重原子数量:23

8.表面电荷:0

9.复杂度:478

10.同位素原子数量:0

11.确定原子立构中心数量:9

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

上下游相关产品

上游产品

56733-83-6

N,N-bis(benzyloxycarbonyl)-spectinomycin
96680-99-8

N/A
96699-66-0

CAS号：96699-66-0
56733-82-5

N,N'-Bis-(carbobenzyloxy)dihydrospectinomycin
21736-83-4

盐酸大观霉素