94771-98-9

• 常用中文名：1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea
• 常用英文名：1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea
• CAS号：94771-98-9
• 分子式：C₂₀H₂₃N₇O₄S
• 分子量：457.50600
• 发布时间：2016-12-20 22:03:31
• 更新时间：2024-01-09 10:28:01

名称

• 英文名: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea

物化性质

• 密度: 1.38g/cm3
• 分子式: C₂₀H₂₃N₇O₄S
• 分子量: 457.50600
• 精确质量: 457.15300
• PSA: 167.07000
• LogP: 3.09840
• 折射率: 1.653

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XF7463620 CHEMICAL NAME : 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-ethoxyphenyl)amino)thioxomethyl) hydrazide CAS REGISTRY NUMBER : 94771-98-9 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C20-H23-N7-O4-S MOLECULAR WEIGHT : 457.56 WISWESSER LINE NOTATION : 5NNNNJ B1VMMYUS&MR DO2& ER CO1 DO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1133,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 35,333,1987

合成路线

94771-93-4 3460-49-9 ~65% 94771-98-9

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

2024-83-1 ~% 94771-98-9

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

10493-27-3 ~% 94771-98-9

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

91759-58-9 ~% 94771-98-9

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135