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Substance Name: Ledipasvir acetone
RN: 1441674-54-9
UNII: 3J78ET35HX
InChIKey: FJPWYOHJVGOKNZ-NDANSHMASA-N

Molecular Formula

  • C49-H54-F2-N8-O6.C3-H6-O

Molecular Weight

  • 947.091
 
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Names and Synonyms

Name of Substance

  • Ledipasvir acetone

Synonyms

  • Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-yl)-1H-benzimidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)hept-5-yl)carbonyl)-2-me
  • Ledipasvir acetone
  • UNII-3J78ET35HX

Registry Numbers

CAS Registry Number

  • 1441674-54-9

FDA UNII

  • 3J78ET35HX

System Generated Number

  • 1441674549

Structure Descriptors

InChI

1S/C49H54F2N8O6.C3H6O/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;1-3(2)4/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);1-2H3/t29-,30+,38-,39-,40-,41-;/m0./s1

InChIKey

FJPWYOHJVGOKNZ-NDANSHMASA-N

Smiles

COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c3ncc([nH]3)c4ccc5c6ccc(cc6C(F)(F)c5c4)c7ccc8nc([nH]c8c7)[C@@H]9[C@H]%10CC[C@H](C%10)N9C(=O)[C@@H](NC(=O)OC)C(C)C.CC(=O)C