76129-11-8

• 常用中文名：Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
• 常用英文名：Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
• CAS号：76129-11-8
• 分子式：C₂₁H₂₅NO₄S
• 分子量：387.49300
• 发布时间：2016-10-06 04:52:23
• 更新时间：2025-08-29 08:52:36

名称

• 英文名: Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)
• 英文别名: (S)-1,2,3-Trimethoxy-7-methylamino-10-methylmercapto-6,7-dihydro-5H-benzo[a]heptalen-9-on; (S)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; thiodemecolcine

物化性质

• 密度: 1.23g/cm3
• 沸点: 631.2ºC at 760 mmHg
• 分子式: C₂₁H₂₅NO₄S
• 分子量: 387.49300
• 闪点: 335.5ºC
• 精确质量: 387.15000
• PSA: 82.09000
• LogP: 4.05910
• 折射率: 1.607

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DF9485250 CHEMICAL NAME : Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-tri methoxy-, (S)- CAS REGISTRY NUMBER : 76129-11-8 BEILSTEIN REFERENCE NO. : 3170982 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C21-H25-N-O4-S MOLECULAR WEIGHT : 387.53 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1204,1985

合成路线

92264-45-4 ~85% 76129-11-8

文献：Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

2731-16-0 ~% 76129-11-8

文献：Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

76129-16-3 ~% 76129-11-8

文献：Kerekes, Peter; Sharma, Padam N.; Brossi, Arnold; Chignell, Colin F.; Quinn, Frank R. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1204 - 1208

477-30-5 5188-07-8 ~% 76129-11-8

文献：Velluz; Muller Bulletin de la Societe Chimique de France, 1955 , p. 198

上下游产品

上游产品  5
92264-45-4 2731-16-0 76129-16-3 477-30-5
5188-07-8
下游产品  0