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Atazanavir sulfate

CAT: 0063-24906497Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0063-24906497Size:100 mg
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CAS Number
229975-97-7

Chemical Information

Atazanavir Sulfate

Atazanavir (brand name: Reyataz) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults and children. In certain people, atazanavir may need to be used with a pharmacokinetic enhancer (boosting agent), as determined by a health care provider. Currently, ritonavir is the only pharmacokinetic enhancer available for use with stand-alone atazanavir.

CAS Number229975-97-7
PubChem CID158550
IUPAC Namemethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;sulfuric acid
Molecular FormulaC38H54N6O11S
Molecular Weight802.9
Topological Polar Surface Area254
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count56
Formal Charge0
Complexity1190
SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)O
InChI
InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1
InChIKey
DQSGVVGOPRWTKI-QVFAWCHISA-N
Chemical Structure
2D Structure
2D structure of Atazanavir Sulfate
CAS: 229975-97-7
CID: 158550
Formula: C38H54N6O11S
MW: 802.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight802.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass802.35712773
Monoisotopic Mass802.35712773
Topological Polar Surface Area254 Ų
Heavy Atom Count56
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-17367A-01Atazanavir (sulfate)
MBS577850Atazanavir sulfate
HY-17367AR-01Atazanavir (sulfate) (Standard)
A10096-50Atazanavir sulfate 50mg
A10096-25Atazanavir sulfate 25mg
A10096-5Atazanavir sulfate 5mg
A10096-10Atazanavir sulfate 10mg
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