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Nelfinavir 100mg

CAT: 0628-A11504-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A11504-100Size:100 mg
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CAS Number
159989-64-7

Chemical Information

Nelfinavir

Nelfinavir is an aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. It has a role as an antineoplastic agent and a HIV protease inhibitor. It is a member of benzamides, an organic heterobicyclic compound, a member of phenols, a secondary alcohol, an aryl sulfide and a tertiary amino compound. It is a conjugate base of a nelfinavir(1+).

CAS Number159989-64-7
PubChem CID64143
IUPAC Name(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
Molecular FormulaC32H45N3O4S
Molecular Weight567.8
XLogP5.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity829
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
InChI
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
InChIKey
QAGYKUNXZHXKMR-HKWSIXNMSA-N
Chemical Structure
2D Structure
2D structure of Nelfinavir
CAS: 159989-64-7
CID: 64143
Formula: C32H45N3O4S
MW: 567.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.8
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass567.31307810
Monoisotopic Mass567.31307810
Topological Polar Surface Area127 Ų
Heavy Atom Count40
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A14259-100Nelfinavir Mesylate 100mg
A11504-1Nelfinavir 1mg
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A11504-5Nelfinavir 5mg
A11504-50Nelfinavir 50mg
A11504-10Nelfinavir 10mg
A11504-2Nelfinavir 2mg
A14259-50Nelfinavir Mesylate 50mg
A14259-5Nelfinavir Mesylate 5mg
A14259-10Nelfinavir Mesylate 10mg

Alternative Products

CatalogName
B1122-25Nelfinavir
A3653-50Nelfinavir Mesylate
RRB38929-01Nelfinavir sulfone
HY-15287A-01Nelfinavir (Mesylate)

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