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Amprenavir

CAT: 1596-AR-A02141-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
161814-49-9
Synonyms
(S) -tetrahydrofuran-3-yl ((2S,3R) -4- (4-amino-N-isobutylphenylsulfonamido) -3-hydroxy-1-phenylbutan-2-yl) carbamate; VX 478; KVX-478; AGENERASE; AMPRENAVIR; Angenerase; Amprenavir
Molecular Formula
C26H36N2O6S
Molecular Weight
504.65
API Name
Amprenavir

Chemical Information

Amprenavir

Amprenavir is a carbamate ester, a sulfonamide and a tetrahydrofuryl ester. It has a role as a HIV protease inhibitor and an antiviral drug.

CAS Number161814-49-9
PubChem CID65016
IUPAC Name[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular FormulaC25H35N3O6S
Molecular Weight505.6
XLogP2.9
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity745
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
InChIKey
YMARZQAQMVYCKC-OEMFJLHTSA-N
Chemical Structure
2D Structure
2D structure of Amprenavir
CAS: 161814-49-9
CID: 65016
Formula: C25H35N3O6S
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass505.22465702
Monoisotopic Mass505.22465702
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity745
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

Alternative Products

CatalogName
BUP13204-01Amprenavir
HY-17430R-01Amprenavir (Standard)
TRC-A634402-10MGAmprenavir-d4
A11985-5Amprenavir 5mg
A8201-5.1Amprenavir (agenerase)
HY-17430S2Amprenavir-13C6

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