609-78-9

• 常用中文名：4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• 常用英文名：4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• CAS号：609-78-9
• 分子式：C₃₄H₃₀ClN₅O₆
• 分子量：640.08500
• 发布时间：2017-05-14 01:17:30
• 更新时间：2024-02-25 18:42:20

名称

• 英文名: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• 英文别名: PAM-MR-807-23a; Cycloguanil pamoate; Cycloquanil pamoate; Dihydrotriazine pamoate; Cycloguanil embonate; Camolar; CN-14,329-23A

物化性质

• 沸点: 642.7ºC at 760 mmHg
• 分子式: C₃₄H₃₀ClN₅O₆
• 分子量: 640.08500
• 闪点: 356.5ºC
• 精确质量: 639.18800
• PSA: 195.06000
• LogP: 6.25370
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:6

  3.氢键受体数量:7

  4.可旋转化学键数量:5

  5.互变异构体数量:45

  6.拓扑分子极性表面积:195

  7.重原子数量:46

  8.表面电荷:0

  9.复杂度:923

  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: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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : QL2275000 CAS REGISTRY NUMBER : 609-78-9 LAST UPDATED : 199203 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C23-H16-O6.2C11-H14-Cl-N5 MOLECULAR WEIGHT : 891.89 WISWESSER LINE NOTATION : L66J CQ DVQ B- 21 &621 &T6N CN EN BHJ AR DG& B B DZ FZ & 2 &622 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 331 mg/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,781,1965