盐酸强力霉素

盐酸强力霉素 基本信息
CAS号 10592-13-9 分子式 C22H25ClN2O8
分子量 480.89600 精确质量  480.13000
PSA  181.62000 LogP  1.15470

等价的CAS号:

10592-13-9,41411-66-9,564-25-0

基本信息 展开↓

CAS号:
10592-13-9
3D弹球模型:
立即前往扯扯看
分子式:
C22H25ClN2O8
分子量:
480.89600
中文名称:
盐酸强力霉素
英文名称:
doxycycline HCl
中文别名:
盐酸强力霉素;
强力霉素;
6-甲基-4-(二甲氨基)-3,5,10,12,12a-五羟基-1,11-二氧代-1,4,4a,5,5a,6,11,12a-八氢-2-并四苯甲酰胺盐酸盐;
盐酸多西环素
英文别名:
doxycycline HCl;
Doxycycline HCl;
doxy-ii;
DOXYCYCLINEHCL;
ecodox;
6-deoxy-5-oxytetracycline hydrochloride;
tecacin;
doxycycline hyclate;
HYDRAMYCIN;
Doxylin;
samecin;
DOXYCYCLINE;
Doxycycline (hydrochloride);
retens;
mespafin;
novadox;
liomycin;
DOXYCYCLINE HYDROCHLORIDE;
midoxin
精确分子量/精确质量:
480.13000
极性分子表面积/PSA:
181.62000
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:
MFCD07357237
EINECS:
234-198-7
PubChem:
24278399
BRN:
5702728
InChI:
The Key: RUYHIJHUVHIMIR-CVHRZJFOSA-N

生产制备方法及用途展开↓

制备方法


为抗生素药,用于革兰阳性球菌和阴性杆菌引起的感染。

用途简介


用途


为抗生素药,用于革兰阳性球菌和阴性杆菌引起的感染

物化性质展开↓

外观与性状:
黄色吸湿的结晶粉末
密度:
1.63 g/cm3
沸点:
762.6ºC at 760 mmHg
闪点:
415ºC
存储条件/存储方法:

密封于0-6ºC无可用阴凉干燥处。

稳定性相关:

遵照规格使用和储存则不会分解。

其它信息:

1.       性状:黄色结晶性粉末

2.       密度(g/mL,25/4): 无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa): 无可用

7.       折射率: 无可用

8.       闪点(ºC): 无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:可溶于水

安全信息展开↓

海关代码:
29413000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
26-36/37
危险标志:
Xn: Harmful;Xi: Irritant;

合成路线查看所有的合成路线

  • 564-25-0

    强力霉素

  • ~92%

  • 10592-13-9

    盐酸强力霉素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI8925000
CHEMICAL NAME :
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro- 3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride
CAS REGISTRY NUMBER :
10592-13-9
LAST UPDATED :
199806
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C22-H24-N2-O8.Cl-H
MOLECULAR WEIGHT :
480.94
WISWESSER LINE NOTATION :
L E6 C666 BV FV CU GUTTT&J DQ EQ GVZ HQ IN1&1 MQ M1 RQ &GH

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 :
1700 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,1447,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
714 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,840,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,1447,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
137 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,1447,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,505,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
179 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,714,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,1447,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
201 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,840,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,714,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,840,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
26 mg/kg/13W-I
TOXIC EFFECTS :
Cardiac - changes in heart weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 129,214,1994 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intrauterine
DOSE :
50 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 29,553,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intrauterine
DOSE :
20 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 29,561,1984
毒理学数据:

1 。
试验方法:宫内
摄入剂量: 50毫克/公斤,女性一天(县)前交配
测试对象:啮齿动物-鼠
毒性类型:生殖
毒性作用: 母体效应-子宫,宫颈,阴道
2 。
试验方法:宫内
摄入剂量: 20毫克/千克,女性一天(县)前交配
测试对象:灵长类动物-猴子
毒性类型:生殖
毒性作用: 母体效应-子宫,宫颈,阴道

3 。
试验方法:口服
摄入剂量: 1700毫克/千克
测试对象:啮齿动物-鼠
毒性类型:急性
毒性作用: 1.感官机构和特别感官(眼) -上睑下垂
2.肌肉无力
3.肺,胸部或呼吸-呼吸抑制

4 。
试验方法:腹腔
摄入剂量: 714毫克/千克
测试对象:啮齿动物-鼠
毒性类型:急性
毒性作用: 详细的毒副作用没有报告以外的其他致死剂量值
生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: Doxycycline Hydrochloride Material Safety Data Sheet
Synonym: Biocamycin; Doxigalumicina; Doxycycline Hyclate; Doxy-II; Midoxin; Novadox; Retens; Tetradox; Vibradox; Hydramycin
CAS: 10592-13-9
Section 1 - Chemical Product   MSDS Name:Doxycycline Hydrochloride Material Safety Data Sheet
Synonym:Biocamycin; Doxigalumicina; Doxycycline Hyclate; Doxy-II; Midoxin; Novadox; Retens; Tetradox; Vibradox; Hydramycin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
10592-13-9 Doxycycline Hydrochloride ca 100% 234-198-7
Hazard Symbols: XN
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. May cause liver damage.
May cause bone structure abnormalities. May be harmful if swallowed.
May produce nervous system disturbances.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
Chronic:
May cause liver and kidney damage. May cause bone marrow abnormalities with damage to blood forming tissues. Adverse reproductive effects have been reported in animals.

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. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 10592-13-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: yellow
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 applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C22H24N2O8HCl
Molecular Weight: 480.6366

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 10592-13-9: QI8925000 LD50/LC50:
CAS# 10592-13-9: Oral, mouse: LD50 = 1890 mg/kg; Oral, rat: LD50 = 1700 mg/kg.
Carcinogenicity:
Doxycycline Hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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: XN
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 10592-13-9: 2
Canada
CAS# 10592-13-9 is listed on Canada's DSL List.
CAS# 10592-13-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10592-13-9 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↓

分子结构数据


1摩尔折射率:无可用

2、   摩尔体积(cm3/mol): 无可用

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

计算化学数据


1、   疏水参数计算参考值(XlogP):无可用

2、   氢键供体数量:7

3、   氢键受体数量:10

4、   可旋转化学键数量:1

5、   拓扑分子极性表面积(TPSA):182

6、   重原子数量:33

7、   表面电荷:0

8、   复杂度:956

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

上下游相关产品

上游产品

更多
  • 564-25-0

    强力霉素

下游产品

更多
  • 564-25-0

    强力霉素

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便