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ent-Abacavir

CAT: 0572-TRC-A105015-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A105015-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136470-79-6
Synonyms
(1R,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol;(1R-cis)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; (1R,4S)-Abacavir; Abacavir EP Impurity A; Abacavir Impurities; Ent-Abacavir
Hazard Statement
No Data Available
Smiles
Nc1nc(NC2CC2)c3ncn([C@H]4C[C@@H](CO)C=C4)c3n1
Molecular Formula
C14H18N6O
Molecular Weight
286.33
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Epzicom

Abacavir Sulfate/Lamivudine is a fixed combination of abacavir sulfate, a nucleoside reverse transcriptase inhibitor (NRTI) analog of guanosine and lamivudine, an NRTI analog of cytidine, that is used to treat human immunodeficiency virus (HIV) infection. Upon oral administration, abacavir and lamivudine are phosphorylated into active metabolites that compete for incorporation into viral DNA. These metabolites inhibit the HIV reverse transcriptase (RT) enzyme competitively and act as a chain terminator of DNA synthesis. This interferes with the generation of DNA copies of viral RNA, which is necessary for the synthesis of new virions.

CAS Number136470-79-6
PubChem CID469584
IUPAC Name[(1R,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Molecular FormulaC14H18N6O
Molecular Weight286.33
XLogP0.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4C[C@H](C=C4)CO
InChI
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m0/s1
InChIKey
MCGSCOLBFJQGHM-WCBMZHEXSA-N
Chemical Structure
2D Structure
2D structure of Epzicom
CAS: 136470-79-6
CID: 469584
Formula: C14H18N6O
MW: 286.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.33
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass286.15420922
Monoisotopic Mass286.15420922
Topological Polar Surface Area102 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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