64-73-3

• 常用中文名：盐酸地美环素
• 常用英文名：Demeclocycline hydrochloride
• CAS号：64-73-3
• 分子式：C₂₁H₂₂Cl₂N₂O₈
• 分子量：501.314
• 相关类别： 原料药 抗生素类药物 四环素类药
• 发布时间：2018-02-03 08:00:00
• 更新时间：2024-01-03 19:41:59
• Demeclocycline盐酸盐是四环素类抗生素，对莱姆病，粉刺和支气管炎有效。

名称

• 中文名: 地美环素盐酸盐
• 英文名: demeclocycline hydrochloride
• 中文别名: 盐酸去甲金霉素; 盐酸地美环素; 盐酸去甲基金霉素
• 英文别名: 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, hydrochloride (1:1); Ledermycin hydrochloride; EINECS 200-592-2; Demeclocycline hydrochloride; (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide,hydrochloride; (4S,4aS,5aS,6S,12aS)-7-chloro-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotétracène-2-carboxamide chlorhydrate; demeclocycline hydrochloride [INN_en]; (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1); (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride; (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1); (4S,4aS,5aS,6S,12aS)-7-Chlor-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-carboxamidhydrochlorid; 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, monohydrochloride; MFCD00864922; Demeclocycline (hydrochloride)

物化性质

• 沸点: 795.9ºC at 760 mmHg
• 熔点: >245°C (dec.)
• 分子式: C₂₁H₂₂Cl₂N₂O₈
• 分子量: 501.314
• 闪点: 435.2ºC
• 精确质量: 500.075317
• PSA: 181.62000
• LogP: 1.76720
• 外观性状: 黄色固体
• 储存条件:

  本品应密封于阴凉干燥处避光保存。

• 水溶解性: H2O: 20 mg/mL, clear, very deep greenish yellow
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:7

  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:132

  6.拓扑分子极性表面积182

  7.重原子数量:33

  8.表面电荷:0

  9.复杂度:961

  10.同位素原子数量:0

  11.确定原子立构中心数量:5

  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

• 更多:

  1. 性状：粉状

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：> 245°C (dec.)

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：H₂O: 20mg/mL, clear, very deep greenish yellow

生物活性

• 描述: Demeclocycline盐酸盐是四环素类抗生素,对莱姆病,粉刺和支气管炎有效。
• 相关类别:
  信号通路 >> 抗感染 >> 细菌
  研究领域 >> 感染

毒性和生态

毒理学数据: 急性毒性：人口经 LDLo ： 69 mg/kg/4D-I ；大鼠口经 LD50 ： 2372 mg/kg ；大鼠静脉LD50：94 mg/kg； 小鼠口经LD50：2150 mg/kg；小鼠静脉LD50：275 mg/kg； 繁殖：大鼠子宫TDLo：50 mg/kgSEX/DURATION : female 1 day(s) pre-mating； 妇女途径未知TDLo：48 ug/kgSEX/DURATION : female 28 week(s) after conception； CHEMICAL IDENTIFICATION RTECS NUMBER : QI7700000 CHEMICAL NAME : 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octah ydro- 3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride CAS REGISTRY NUMBER : 64-73-3 LAST UPDATED : 199706 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C21-H21-Cl-N2-O8.Cl-H MOLECULAR WEIGHT : 501.35 WISWESSER LINE NOTATION : L E6 C666 BV FV CU GUTTT&J DQ EQ GVZ HQ IN1&1 MQ OG RQ &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 69 mg/kg/4D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - renal function tests depressed Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : AJKDDP American Journal of Kidney Diseases. (Grune & Stratton, Inc., Journal Subscription Dept., POB 6280, Duluth, MN 55806) V.1- 1981- Volume(issue)/page/year: 5,270,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2372 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 94 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: -,704,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2150 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: -,704,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 275 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AISMAE Archivio Italiano di Scienze Mediche Tropical e di Parassitologia. Italian Archives of the Science of Tropical Medicine and Parasitology. (Rome, Italy) V.1-54, 1920-73. Suspended. Volume(issue)/page/year: 43,143,1962 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 48 ug/kg SEX/DURATION : female 28 week(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - delayed effects REFERENCE : PEDIAU Pediatrics. (American Academy of Pediatrics, P.O. Box 1034, Evanston, IL 60204) V.1- 1948- Volume(issue)/page/year: 34,423,1964 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4830 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 291 (estimated) No. of Female Employees: 129 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H317
• 警示性声明: P280
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R43
• 安全声明 (欧洲): S36/37
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: QI7700000