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Fosamprenavir calcium

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Description
A phosphate ester prodrug of the HIV-1 protease inhibitor amprenavir with improved solubility.
CAS Number
226700-81-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
623.6689
Molecular Formula
C25H34CaN3O9PS
Notes
Research use only, not for human use.
Receptor
HIV

Chemical Information

Fosamprenavir Calcium

Fosamprenavir is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults and children. Fosamprenavir is always used in combination with other HIV medicines.

CAS Number226700-81-8
PubChem CID131535
IUPAC Namecalcium [(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl] phosphate
Molecular FormulaC25H34CaN3O9PS
Molecular Weight623.7
Topological Polar Surface Area192
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity901
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
InChI
InChI=1S/C25H36N3O9PS.Ca/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/q;+2/p-2/t21-,23-,24+;/m0./s1
InChIKey
PMDQGYMGQKTCSX-HQROKSDRSA-L
Chemical Structure
2D Structure
2D structure of Fosamprenavir Calcium
CAS: 226700-81-8
CID: 131535
Formula: C25H34CaN3O9PS
MW: 623.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight623.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass623.1379287
Monoisotopic Mass623.1379287
Topological Polar Surface Area192 Ų
Heavy Atom Count40
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes