Fosamprenavir calciumProduct ingredient for Fosamprenavir

Name
Fosamprenavir calcium
Drug Entry
Fosamprenavir

Fosamprenavir is a prodrug of amprenavir, an inhibitor of human immunodeficiency virus (HIV) protease.

Accession Number
DBSALT001228
Structure
Synonyms
Not Available
UNII
ID1GU2627N
CAS Number
226700-81-8
Weight
Average: 623.67
Monoisotopic: 623.1379288
Chemical Formula
C25H34CaN3O9PS
InChI Key
PMDQGYMGQKTCSX-HQROKSDRSA-L
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
IUPAC Name
calcium N-[(2S,3R)-3-(hydrogen phosphonatooxy)-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]-1-[(3S)-oxolan-3-yloxy]methanecarboximidate
SMILES
[Ca++].[H][C@](CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1)(OP(O)([O-])=O)[C@]([H])(CC1=CC=CC=C1)N=C([O-])O[C@@]1([H])CCOC1
ChemSpider
116244
ChEMBL
CHEMBL1200734
Wikipedia
Fosamprenavir
Predicted Properties
PropertyValueSource
Water Solubility0.0718 mg/mLALOGPS
logP2.68ALOGPS
logP2.65Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)1.36Chemaxon
pKa (Strongest Basic)2.43Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area186.87 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity155.17 m3·mol-1Chemaxon
Polarizability56.69 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon