63659-19-8

• 常用中文名：盐酸倍他洛尔
• 常用英文名：Betaxolol hydrochloride
• CAS号：63659-19-8
• 分子式：C₁₈H₃₀ClNO₃
• 分子量：343.889
• 相关类别： 原料药 循环系统用药 抗心律失常药
• 发布时间：2018-09-14 11:06:02
• 更新时间：2024-01-05 12:46:23
• Betaxolol盐酸盐是β1肾上腺素受体阻断剂,可作用于高血压和青光眼。

名称

• 中文名: 盐酸倍他洛尔
• 英文名: betaxolol hydrochloride
• 中文别名: 1-[4-[2-(环丙基甲氧基)乙基]苯氧基]-3-[(1-甲基乙基)氨基]-2-丙醇盐酸盐; 尼索地平
• 英文别名: (±)-1-(p-(2-(Cyclopropylmethoxy)ethyl)phenoxy)-3-(isopropylamino)-2-propanol Hydrochloride; Betaxolol; (+/-)-1-{p-[2-(cyclopropylmethoxy) ethyl] phenoxy}-3-isopropylamino-2-propanol; Betaxololum; 2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1); EINECS 264-384-3; 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol hydrochloride (1:1); Betaxolol (TN); Betoptic; Betazolol; 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(1-methylethyl)amino]propan-2-ol hydrochloride; MFCD00242959; 1-{4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}-3-[(1-methylethyl)amino]propan-2-olhydrochlorid; 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol,hydrochloride; 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol; 1-{4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}-3-(isopropylamino)-2-propanol hydrochloride (1:1); Betaxolol [INN:BAN]; Betaxolol hydrochloride; Kerlone; 1-{4-[2-(cyclopropylméthoxy)éthyl]phénoxy}-3-[(1-méthyléthyl)amino]propan-2-ol chlorhydrate; 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol; 1-{4-[2-(Cyclopropylmethoxy)-ethyl]-phenoxy}-3-isopropylamino-propan-2-ol; 1-{4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}-3-(isopropylamino)propan-2-ol hydrochloride (1:1); Betaxololum [INN-Latin]; 2-propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride; UNII:6X97D2XT0O; Betaxolol HCl; Betaxolol (hydrochloride)

物化性质

• 沸点: 448ºC at 760 mmHg
• 分子式: C₁₈H₃₀ClNO₃
• 分子量: 343.889
• 闪点: 224.7ºC
• 精确质量: 343.191437
• PSA: 50.72000
• LogP: 3.58630
• 外观性状: 固体
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物。

• 水溶解性: H2O: 36 mg/mL, soluble
• 分子结构:

  1、 摩尔折射率：88.91

  2、 摩尔体积（m³/mol）：287.9

  3、 等张比容（90.2K）：730.8

  4、 表面张力（dyne/cm）：41.4

  5、 极化率（10^-24cm³）：35.24

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:4

  4.可旋转化学键数量:11

  5.互变异构体数量:无

  6.拓扑分子极性表面积50.7

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:286

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  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：白色固体。

  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 。

生物活性

• 描述: Betaxolol盐酸盐是β1肾上腺素受体阻断剂,可作用于高血压和青光眼。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
  研究领域 >> 心血管疾病
• 参考文献:

  [1]. Rudoy, C.A. and E.J. Van Bockstaele, Betaxolol, a selective beta(1)-adrenergic receptor antagonist, diminishes anxiety-like behavior during early withdrawal from chronic cocaine administration in rats. Prog Neuropsychopharmacol Biol Psychiatry, 2007. 31(5

  [2]. Lesar, T.S., Comparison of ophthalmic beta-blocking agents. Clin Pharm, 1987. 6(6): p. 451-63.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UA9823000 CHEMICAL NAME : 2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-meth ylethyl)amino)-, hydrochloride CAS REGISTRY NUMBER : 63659-19-8 LAST UPDATED : 199612 DATA ITEMS CITED : 19 MOLECULAR FORMULA : C18-H29-N-O3.Cl-H MOLECULAR WEIGHT : 343.94 WISWESSER LINE NOTATION : L3TJ A1O2R DO1YQ1MY1&1 &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 : 998 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - ataxia Nutritional and Gross Metabolic - body temperature decrease 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: 18(Suppl 7),S1621,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 389 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair 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: 18(Suppl 7),S1621,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 27400 ug/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - convulsions or effect on seizure threshold 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: 18(Suppl 7),S1621,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 48 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 332 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair 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: 18(Suppl 7),S1621,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 37 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4252984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 72800 mg/kg/26W-I TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in spleen weight Related to Chronic Data - death REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7840 mg/kg/4W-I TOXIC EFFECTS : Gastrointestinal - changes in structure or function of salivary glands REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 7300 mg/kg/1Y-I TOXIC EFFECTS : Kidney, Ureter, Bladder - other changes in urine composition 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: 18(Suppl 7),S1689,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 7280 mg/kg/52W-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 168 mg/kg/4W-I TOXIC EFFECTS : Cardiac - pulse rate REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 30464 mg/kg SEX/DURATION : multigeneration TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) 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: 18(Suppl 7),S1703,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 30464 mg/kg SEX/DURATION : multigeneration TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - delayed effects 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: 18(Suppl 7),S1703,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 5200 mg/kg SEX/DURATION : female 17-21 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - physical 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: 18(Suppl 7),S1753,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 5200 mg/kg SEX/DURATION : female 17-21 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - physical Reproductive - Effects on Newborn - delayed effects 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: 18(Suppl 7),S1753,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 50 mg/kg SEX/DURATION : female 7-16 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - other neonatal measures or effects Reproductive - Effects on Newborn - biochemical and metabolic REFERENCE : AIPBE4 Archives Internationalos de Physiologie, de Biochimie et de Biophysique. (Vaillant-Carmanne, s.a., Zeven Puttenstraat 20, 3690 Zutendaal, Belgium) V.99- 1991- Volume(issue)/page/year: 100,355,1992 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 468 mg/kg SEX/DURATION : female 6-18 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : LMSED6 L.E.R.S. Monograph Series. Laboratories d'Etudes et de Recherches Synthelabo Monograph Series. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1983- Volume(issue)/page/year: 1,43,1983 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 468 mg/kg SEX/DURATION : female 6-18 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) 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: 18(Suppl 7),S1741,1990

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 警示性声明: P301 + P312 + P330
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: UA9823000
• 海关编码: 2922199090

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海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%