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化合物简介

Nitisinone (INN), also known as NTBC (an abbreviation of its full chemical name) is a medication used to slow the effects of hereditary tyrosinemia type 1. Since its first use for this indication in 1991, it has replaced liver transplantation as the first-line treatment for this rare condition. It is also being studied in the related condition alkaptonuria. It is marketed under the brand name Orfadin by the company Swedish Orphan Biovitrum (Sobi); it was first brought to market by Swedish Orphan International. It was originally developed as a candidate herbicide.

基本信息

CAS:104206-65-7
中文别名:2-(2-硝基-4-三氟甲基苯甲酰基)-1,3-环己二酮;
英文别名:Nitisinone;2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione;Nitisone;2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione;Orfadin;Nitisinone [INN];nitisinona;Orfadin (TN);nitisinonum;
分子式:C14H10F3NO5
分子量:329.228
精确质量:329.051
Psa:97.03
Logp:3.2578

编号系统

MDL号:MFCD01752192

物化性质

密度:1.484g/cm3
沸点:486.2ºC at 760mmHg
闪点:247.9ºC
折射率:1.535
蒸汽压:1.32E-09mmHg at 25°C

安全信息

海关编码:2914700090

生产方法及用途

合成路线

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图谱

13C NMR : Predict


1H NMR : Predict


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