Disodium;5-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-6-oxido-4-sulfonaphthalene-2-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Disodium;5-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-6-oxido-4-sulfonaphthalene-2-sulfonate
• 英文别名: disodium;5-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-6-oxido-4-sulfonaphthalene-2-sulfonate
• 化学式: C32H26N4Na2O8S2
• 分子量: 704.7
• InChiKey: SLZCDQVDTBWJND-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  210
• 氢给体数：
  1
• 氢受体数：
  12

ADMET

毒理性

• 副作用

NTP致癌物 - 有理由预期对人类有致癌性。

NTP Carcinogen - Reasonably anticipated to be a human carcinogen.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 非人类毒性摘录

直接红39（C.I. 23630）在沙门氏菌/微粒体预培养试验中进行了致突变性评估，使用的是由国家毒理学计划批准的标准协议。直接红39在四种沙门氏菌伤寒杆菌菌株（TA98、TA100、TA1535和TA1537）中进行了测试，剂量为0、100、333、1000、3333和10,000微克/平板，并在有和无Aroclor诱导的大鼠或仓鼠肝脏S9的情况下进行。在这些测试中，直接红39呈阴性，所有四种沙门氏菌测试菌株在有和无代谢活化作用的情况下测试的最高无效剂量水平（不形成沉淀）为333微克/平板。

Direct red 39 (C.I. 23630) was evaluated for mutagenicity in the Salmonella/microsome preincubation assay using a standard protocol approved by the National Toxicology Program. Direct red 39 was tested at doses of 0, 100, 333, 1000, 3333, and 10,000 ug/plate in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. Direct red 39 was negative in these tests and the highest ineffective dose level tested (not forming a precipitate) in all four Salmonella tester strains with and without metabolic activation was 333 ug/plate.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

急性经口毒性在5只雄性和5只雌性Wistar大鼠中进行评估，通过口服灌胃给予单一剂量的氯胺红39，剂量为5.0克/千克体重。在5只雄性大鼠中有4只，在5只雌性大鼠中有2只观察到死亡；估计LD50值小于5.0克/千克。临床观察包括共济失调、昏迷、嗜睡、上睑下垂和消瘦。大体尸检显示肠道有黄色和/或红色区域，肝脏和/或肾脏呈紫色，内腹壁呈红色和/或橙色。

Acute oral toxicity was evaluated in 5 male and 5 female Wistar rats administered single doses of Chloramine Red 39 by oral gavage at a level of 5.0 g/kg body weight. Mortality was observed in 4 out of 5 male rats and 2 out of 5 female rats; the LD50 value was estimated to be less than 5.0 g/kg. The clinical observations included ataxia, coma, lethargy, ptosis and emaciation. Gross necropsy revealed yellow and/or red areas in intestines, purple liver and/or kidney, and red and/or orange inner abdominal walls.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

急性经口毒性在5只雄性和5只雌性Wistar大鼠的组中进行评估，这些大鼠通过口服灌胃接受了单一剂量的氯胺红39（用蒸馏水稀释至50% w/v）,剂量水平为3.51、5.0和7.12克/千克体重。在3.51克/千克剂量组中观察到1只雄性大鼠死亡，在5.0克/千克剂量组中观察到6只大鼠死亡；估计的LD50高于7.12克/千克。临床观察包括共济失调、乏力、消瘦、上睑下垂和腹泻。大体尸检显示肝脏和肾脏颜色发黑，内腹壁呈红色和橙色。

Acute oral toxicity was evaluated in groups of 5 male and 5 female Wistar rats administered single doses of Chloramine Red 39 (diluted 50% w/v with distilled water) by oral gavage at dose levels of 3.51, 5.0 and 7.12 g/kg body weight. Mortality was observed in 1 male rat in the 3.51 g/kg dose group and in 6 rats in the 5.0 g/kg dose group; an LD50 was estimated to be higher than 7.12 g/kg. Clinical observations include ataxia, lethargy, emaciation, ptosis and diarrhea. The gross necropsy revealed dark liver and kidneys, and red and orange inner abdominal walls.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

新西兰白兔（2雄性和2雌性）对氯胺红39的急性皮肤毒性进行了评估，它们接受了一次未稀释的氯胺红39的单次封闭给药，剂量为2.0克/千克体重。试验物质与磨伤的皮肤接触了24小时。在14天的观察期内，兔子没有出现死亡，因此LD50值被确定为大于2.0克/千克。临床观察包括腹泻、乏力、黄色鼻涕、非常轻微的红斑和非常轻微的浮肿。大体解剖发现包括棕色会阴分泌物、斑驳的肝脏和肾脏以及肺部的暗区。

Acute dermal toxicity was evaluated in New Zealand White rabbits (2 male and 2 female) which received a single occluded application of undiluted Chloramine Red 39 at a dose level of 2.0 g/kg body weight. The test article was held in contact with the abraded skin for 24 hours. No mortality was observed in the rabbits over the 14 day period and the LD50 value was determined to be greater than 2.0 g/kg. Clinical observations included diarrhea, lethargy, yellow nasal discharge, very slight erythema and very slight edema. Gross necropsy findings included brown anogenital exudate, mottled liver and kidney, and dark areas on lungs.

来源:Hazardous Substances Data Bank (HSDB)