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1256388-51-8
Ledipasvir
Name
Ledipasvir
Formula
C49H54F2N8O6
MolWeight
888.9999
1Identification
【Name】
Ledipasvir
【CAS】
【MDL】
【English Synonyms】
【Formula】
C49H54F2N8O6
【MolWeight】
888.9999
【Inchi】
InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)
【InChIKey】
InChIKey=VRTWBAAJJOHBQU-UHFFFAOYSA-N
【SMILES】
COC(=O)NC(C(C)C)C(=O)N1CC2(CC2)CC1C1=NC=C(N1)C1=CC2=C(C=C1)C1=C(C=C(C=C1)C1=CC3=C(C=C1)N=C(N3)C1C3CCC(C3)N1C(=O)C(NC(=O)OC)C(C)C)C2(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Ledipasvir.cml
Quick Release
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