Molecules/Ledipasvir and Sofosbuvir

Ledipasvir and Sofosbuvir

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;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C71H83F3N11O15P1418.40 g/molCID 72734365

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Molecular Identity

Ledipasvir and Sofosbuvir

PubChem CID: 72734365

2D Structure

Properties

C₇₁H₈₃F₃N₁₁O₁₅P

Molecular Formula

1418.40

Molecular Weight

g/mol

1417.5760

Exact Mass

327

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2730

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3

Isomeric SMILES

SMILES: C[C@@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3.CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

Synonyms(12)

Ledipasvir and sofosbuvirRefChem:798886ledipasvir & sofosbuvirledipasvir + sofosbuvirHarvoniSofosbuvir/LedipasvirLedipasvir / sofosbuvirSofosbuvir / LedipasvirSofosbuvir and LedipasvirSCHEMBL29366394YWRYBUCQWKGONV-CABNZSRHSA-NS900006370

Data from PubChem (NCBI)

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Molecular Structure

Ledipasvir and Sofosbuvir

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Source: PubChem

Drug Network

Trials and conditions connected to Ledipasvir and Sofosbuvir

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