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Fosamprenavir

CAT: 0607-BA1915-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1915-10Size:10 mg
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CAS Number
226700-79-4
Form
A solid
Molecular Formula
C25H36N3O9PS
Molecular Weight
585.61
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fosamprenavir

Fosamprenavir is a sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir. It has a role as a prodrug. It is functionally related to a sulfanilamide.

CAS Number226700-79-4
PubChem CID131536
IUPAC Name[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
Molecular FormulaC25H36N3O9PS
Molecular Weight585.6
XLogP1.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count39
Formal Charge0
Complexity912
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
InChI
InChI=1S/C25H36N3O9PS/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)/t21-,23-,24+/m0/s1
InChIKey
MLBVMOWEQCZNCC-OEMFJLHTSA-N
Chemical Structure
2D Structure
2D structure of Fosamprenavir
CAS: 226700-79-4
CID: 131536
Formula: C25H36N3O9PS
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass585.19098791
Monoisotopic Mass585.19098791
Topological Polar Surface Area186 Ų
Heavy Atom Count39
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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