82-93-9

• 常用中文名：氯环嗪
• 常用英文名：Di-Paralene
• CAS号：82-93-9
• 分子式：C₁₈H₂₁ClN₂
• 分子量：300.82600
• 相关类别： 有机原料 有机金属盐
• 发布时间：2018-09-02 10:21:25
• 更新时间：2024-01-09 18:02:30
• Chlorcyclizine is a first-generation antihistamine of the phenylpiperazine class marketed in the United States and certain other countries. It is used primarily to treat allergy symptoms such as rhinitis, urticaria, and pruritus, and may also be used as an antiemetic. In addition to its antihistamine effects, chlorcyclizine also has some anticholinergic, antiserotonergic, and local anesthetic properties. It also has been studied as a potential treatment for hepatitis C.

名称

• 中文名: 氯环嗪
• 英文名: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
• 中文别名: 氯苯甲嗪
• 英文别名: Trihistan; Chlorcycline; Chlorocycline; Alergicide; Histantine; Diparalene; 1-(4-chloro-benzhydryl)-4-methyl-piperazine; Histachlorazene; chlorcyclizine; Perazyl; 1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine; Chlorocyclizine

物化性质

• 沸点: 137-145ºC at 0.1-0.15 MM HG
• 分子式: C₁₈H₂₁ClN₂
• 分子量: 300.82600
• 精确质量: 300.13900
• PSA: 6.48000
• LogP: 3.55260
• 储存条件: 库房低温通风干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积:6.5

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:300

  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:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TL1925000 CHEMICAL NAME : Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-methyl- CAS REGISTRY NUMBER : 82-93-9 BEILSTEIN REFERENCE NO. : 0272719 LAST UPDATED : 199612 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C18-H21-Cl-N2 MOLECULAR WEIGHT : 300.86 WISWESSER LINE NOTATION : T6N DNTJ AYR&R DG& D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 160 mg/kg SEX/DURATION : female 13-16 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - urogenital system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 200 mg/kg SEX/DURATION : female 13-16 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - homeostasis TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 755 mg/kg SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - body wall Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 330 mg/kg SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1890 mg/kg SEX/DURATION : female 21 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 240 mg/kg SEX/DURATION : female 18-25 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 440 mg/kg SEX/DURATION : female 15-25 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : 50 mg/kg REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 171,109,1970 *** REVIEWS *** TOXICOLOGY REVIEW FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 35,89,1976 TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966

安全

• 符号: GHS07, GHS09
• 信号词: Warning
• 危害声明: H302-H400
• 警示性声明: P301 + P312 + P330
• 危险品运输编码: UN 3077 9 / PGIII
• 海关编码: 2933599090

合成路线

38111-44-3 104-88-1 100-52-7 ~54% 82-93-9

文献：Sengmany, Stephane; Le Gall, Erwan; Le Jean, Cedric; Troupel, Michel; Nedelec, Jean-Yves Tetrahedron, 2007 , vol. 63, # 18 p. 3672 - 3681

109-01-3 134-83-8 ~% 82-93-9

文献：Journal of the American Chemical Society, , vol. 71, p. 2731,2732 Journal of Organic Chemistry, , vol. 14, p. 775,777, 779

109-01-3 100-52-7 150766-93-1 ~34% 82-93-9

文献：Sengmany, Stephane; Le Gall, Erwan; Le Jean, Cedric; Troupel, Michel; Nedelec, Jean-Yves Tetrahedron, 2007 , vol. 63, # 18 p. 3672 - 3681

303-26-4 74-88-4 ~% 82-93-9

文献：Venkat Narsaiah; Narsimha Medicinal Chemistry Research, 2012 , vol. 21, # 4 p. 538 - 541

119-56-2 ~% 82-93-9

文献：Medicinal Chemistry Research, , vol. 21, # 4 p. 538 - 541

134-83-8 ~% 82-93-9

文献：Medicinal Chemistry Research, , vol. 21, # 4 p. 538 - 541

134-85-0 ~% 82-93-9

文献：Medicinal Chemistry Research, , vol. 21, # 4 p. 538 - 541

64-18-6 ~% 82-93-9

文献：US2861072 , ;

上下游产品

上游产品  10
38111-44-3 104-88-1 100-52-7 109-01-3
134-83-8 150766-93-1 303-26-4 74-88-4
119-56-2 134-85-0
下游产品  0

海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%