10058-07-8

• 常用中文名：nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
• 常用英文名：nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
• CAS号：10058-07-8
• 分子式：C₂₁H₂₃N₇O₄
• 分子量：437.45200
• 发布时间：2017-09-13 16:30:25
• 更新时间：2025-08-31 19:09:20

名称

• 英文名: 1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione,pyridine-3-carboxylic acid
• 英文别名: 7-(2-(Piridil)-metilammino-etil)-teofillino nicotinato [Italian]; Theophylline,7-(2-((3-pyridylmethyl)amino)ethyl)-,nicotinate; 7-(ss-3'-Picolylaminoaethyl)-theophyllin-nicotinat; ES 902; nicotinic acid,compound with 3,7-dihydro-1,3-dimethyl-7-{2-[(3-pyridylmethyl)amino]ethyl}-1H-purine-2,6-dione (1:1); 7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline nicotinate; Pimefylline nicotinate; Teonicon; EINECS 233-185-3

物化性质

• 沸点: 575.6ºC at 760mmHg
• 分子式: C₂₁H₂₃N₇O₄
• 分子量: 437.45200
• 闪点: 301.9ºC
• 精确质量: 437.18100
• PSA: 136.93000
• LogP: 0.78920
• 蒸汽压: 3E-13mmHg at 25°C

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH6495000 CHEMICAL NAME : Theophylline, 7-(2-((3-pyridylmethyl)amino)ethyl)-, nicotinate CAS REGISTRY NUMBER : 10058-07-8 LAST UPDATED : 198609 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C21-H23-N7-O4 MOLECULAR WEIGHT : 437.51 WISWESSER LINE NOTATION : T56 BN DN FNVNVJ F1 H1 B2M1- CT6NJ &T6NJ CVQ 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 : 3700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GMITAB Gazzetta Medica Italiana. (Turin, Italy) V.95-142, 1936-83. Volume(issue)/page/year: 132,36,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GMITAB Gazzetta Medica Italiana. (Turin, Italy) V.95-142, 1936-83. Volume(issue)/page/year: 132,36,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2530 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 48,133,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 470 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PAHEAA Pharmaceutica Acta Helvetiae. (Schweizerische Apothekerzeitung, Postfach 3006, CH3000 Bern, 7, Switzerland) V.1- 1926- Volume(issue)/page/year: 48,133,1973