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Abacavir Sulfate

CAT: 0572-TRC-A105000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A105000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188062-50-2
Synonyms
Abacavir sulfate; Bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-enyl]methanol] sulfate; 1592U89 hemisulphate; GI 265235F; 1617U89 (abacavir enantiomer); 1592U89 hemisulphate test mix 2; USP Abacavir Stereoisomers Mixture; Ph Eur Abacavir for System Suitability; Abacavir Sulphate (1592U89 hemisulphate)
Hazard Statement
Causes serious eye damage
Purity
>95% (HPLC)
Smiles
Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1.Nc5nc(NC6CC6)c7ncn([C@@H]8C[C@H](CO)C=C8)c7n5.OS(=O)(=O)O
Molecular Formula
2 C14 H18 N6 O . H2 O4 S
Molecular Weight
670.74
InChI
InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
Additionnal Information
IUPAC name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Abacavir Sulfate

Abacavir sulfate is an azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir. It is functionally related to an abacavir.

CAS Number188062-50-2
PubChem CID441384
IUPAC Namebis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol);sulfuric acid
Molecular FormulaC28H38N12O6S
Molecular Weight670.7
Topological Polar Surface Area287
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity496
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O
InChI
InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
InChIKey
WMHSRBZIJNQHKT-FFKFEZPRSA-N
Chemical Structure
2D Structure
2D structure of Abacavir Sulfate
CAS: 188062-50-2
CID: 441384
Formula: C28H38N12O6S
MW: 670.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight670.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass670.27579815
Monoisotopic Mass670.27579815
Topological Polar Surface Area287 Ų
Heavy Atom Count47
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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A11120-50Abacavir sulfate 50mg

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