- Monograph ID
- M11694
- Title
- Simeprevir
- UNII
- 9WS5RD66HZ
- Molecular formula
- C38H47N5O7S2
- Molecular weight
- 749.94
- Percent composition
- C 60.86%, H 6.32%, N 9.34%, O 14.93%, S 8.55%
- Standard InChI
- InChI=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
- Standard InChIKey
- JTZZSQYMACOLNN-VDWJNHBNSA-N
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