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Simeprevir

Catalog No.: 16062201
Cas No.: 923604-59-5
Purity : 98% by HPLC 
16062201 - Simeprevir | CAS 923604-59-5

Catalog number : 16062201

CAS number : 923604-59-5

分子式 : C38H47N5O7S2 

分子量 : 749.94 

Iupac 化学名称 : (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide 

Smile : Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC

InChiKey : JTZZSQYMACOLNN-BIIITJQWSA-N

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同义词TMC435; Olysio 
英文同义词TMC435; Olysio 
分子式C38H47N5O7S2 
分子量749.94 
外观Solid powder 
纯度98% by HPLC 
可溶性Soluble in DMSO 
存储-20 ºC for 3 years 
运输条件Shipped under ambient temperature 
SmileCc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC
InChiKeyJTZZSQYMACOLNN-BIIITJQWSA-N
InChiInChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38+/m1/s1
MDLMFCD16038910
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Simeprevir (formerly TMC435; trade name Olysio) is a drug for the treatment and cure of hepatitis C. It was developed by Medivir and Johnson & Johnson's pharmaceutical division Janssen Pharmaceutica. In the United States, simeprevir is approved by the Food and Drug Administration for use in combination with peginterferon-alfa and ribavirin for hepatitis C and hepatitis B. Simeprevir has been approved in Japan for the treatment of chronic hepatitis C infection, genotype 1 

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