Molecular Identity
Nelfinavir Mesylate
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid
PubChem CID: 64142
Nelfinavir mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties. It has a role as an antineoplastic agent and a HIV protease inhibitor. It contains a nelfinavir(1+).
2D Structure
Properties
C33H49N3O7S2
Molecular Formula
663.90
Molecular Weight
g/mol
663.3012
Exact Mass
Da
190
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
922
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)OIsomeric SMILES
SMILES: CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)OSynonyms(20)
Nelfinavir mesylate159989-65-8Nelfinavir mesilateNelfinavir MethanesulfonateAG1343Nelfinaviri mesilas98D603VP8VCHEBI:7497NSC722664DTXCID601477080Mesylate, NelfinavirRefChem:57162Nelfinavir Monomethane SulfonateMonomethane Sulfonate, NelfinavirSulfonate, Nelfinavir Monomethane
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nelfinavir Mesylate
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