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Ledipasvir · CAS 1256388-51-8 · C49H54F2N8O6. UNII 013TE6E4WV. LogP: 3.8; Dissociation Constants: pka1 = 4.0, pka2 = 5.0.
| CAS Registry Number | 1256388-51-8 |
|---|---|
| PubChem CID | 67505836 |
| Molecular formula | C49H54F2N8O6 |
| IUPAC name | methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate |
| UNII (FDA) | 013TE6E4WV |
| Molecular Weight | 889.0 |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 888.41343780 |
| Monoisotopic Mass | 888.41343780 |
| Topological Polar Surface Area | 175 |
| Heavy Atom Count | 65 |
| Formal Charge | 0 |
| LogP | 3.8 |
|---|---|
| Dissociation Constants | pka1 = 4.0, pka2 = 5.0 |
| GHS notification summary | 50% (1 / 2) |
|---|
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H371 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H371 (50%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Ledipasvir; 1256388-51-8; GS-5885; GS5885; GS 5885; WHO 9796; 013TE6E4WV; CHEBI:85089; DTXSID90154829; HARVONI COMPONENT LEDIPASVIR; ledipasvirum; RefChem:798885; DTXCID8077320; Ledipasvir acetonate; Ledipasvir [USAN:INN]; MFCD25976756
CAS 1256388-51-8; molecular formula C49H54F2N8O6; molecular weight — g/mol.
Ledipasvir, 1256388-51-8, GS-5885, GS5885, GS 5885, WHO 9796.
50% of GHS notifications report no hazard classification (1 of 2).
LogP: 3.8; Dissociation Constants: pka1 = 4.0, pka2 = 5.0.
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