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Lamivudine-13C-d2

CAT: 0931-TMID-0285-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0285-01Size:1 mg
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CAS Number
2714473-70-6
Target
HBV
Related Pathways
Microbiology/Virology
Bioactivity
Lamivudine-13C-d2 the 13C and deuterated compound of Lamivudine. Lamivudine has a CAS number of 134678-17-4. Lamivudine is a reverse transcriptase inhibitor and ZALCITABINE analog in which a sulfur atom replaces the 3' carbon of the pentose ring. It is used to treat HIV disease.
Smiles
O=[13C]1N([C@H]2O[C@@H]([C@](O)([2H])[2H])SC2)C=CC(N)=N1
Molecular Formula
13CC7D2H9N3O3S
Molecular Weight
232.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lamivudine-13C1,d2
CAS Number2714473-70-6
PubChem CID129893309
IUPAC Name4-amino-1-[(2R,5S)-2-[dideuterio(hydroxy)methyl]-1,3-oxathiolan-5-yl](213C)pyrimidin-2-one
Molecular FormulaC8H11N3O3S
Molecular Weight232.26
XLogP-0.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity331
SMILES
[2H]C([2H])([C@@H]1O[C@@H](CS1)N2C=CC(=N[13C]2=O)N)O
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1/i3D2,8+1
InChIKey
JTEGQNOMFQHVDC-PPUZHDCLSA-N
Chemical Structure
2D Structure
2D structure of Lamivudine-13C1,d2
CAS: 2714473-70-6
CID: 129893309
Formula: C8H11N3O3S
MW: 232.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.26
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass232.06802072
Monoisotopic Mass232.06802072
Topological Polar Surface Area113 Ų
Heavy Atom Count15
Formal Charge0
Complexity331
Isotope Atom Count3
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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Alternative Products

CatalogName
HY-W654247Lamivudine-13C, d2
AR-L01070-01Lamivudine-13C-d2
AR-L08114-01Lamivudine-13C, D2,15N2
HY-B0250S1Lamivudine-13C,15N2, d2
HY-B0250S2Lamivudine-13C,15N3
TRC-L172502-1MGLamivudine-15N2,13C
AR-L01071-01Lamivudine-13C-15N2
CS-O-06704Lamivudine-13C,15N2
MBS5766966Lamivudine 13C,15N2
CS-O-60904Lamivudine-15N2-d2

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