Account Ledipasvir Intermediate
- Catalog No. :
- ACWZFM594
- CAS No. :
- 1256393-27-7
- Molecular Formula :
- C47H51F2N7O5
- Molecular Weight :
- 831.97
IUPAC Name:tert-butyl (1R,3S,4S)-3-(6-(9,9-difluoro-7-(2-((S)-5-((methoxycarbonyl)-L-valyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
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Product Information
| Product Name | Ledipasvir Intermediate |
|---|---|
| IUPAC Name | tert-butyl (1R,3S,4S)-3-(6-(9,9-difluoro-7-(2-((S)-5-((methoxycarbonyl)-L-valyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| Molecular Formula | C47H51F2N7O5 |
| Molecular Weight | 831.97 |
| SMILES | O=C(N1[C@](C2)([H])CC[C@]2([H])[C@H]1C3=NC4=CC=C(C5=CC(C(F)(F)C6=C7C=CC(C8=CN=C([C@H](C9)N(C([C@@H](NC(OC)=O)C(C)C)=O)CC%109CC%10)N8)=C6)=C7C=C5)C=C4N3)OC(C)(C)C |
| InChI Key | BFGOURKCVBTGRQ-RLNHTXKNSA-N |
| Synonym | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[6-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-[(Methoxycarbonyl)aMino]-3-Methyl-1-oxobutyl]-5-azaspiro[2.4]hept-6-yl]-1H-iMidazol-5-yl]-9H-fluoren-2-yl]-1H-benziMidazol-2-yl]-, 1,1-diMethylethyl ester, (1R,3S,4S)-;(1R,3S,4S)-3-[6-[9,9-Difluoro-7-[2-[(6S)-5-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-azaspiro[2.4]hept-6-yl]-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester |
| CAS No. | 1256393-27-7 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACWZFM594 Molecular Building Block Synthetic Route
Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-D-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Ledipasvir hydrochloride