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Emtricitabine-15N,d2

Catalog Number ACM2714436538
CAS 2714436-53-8
Structure Structure
Description Emtricitabine-15N,d2 is a 15N-labeled and deuterium labeled Emtricitabine. Emtricitabine is a nucleoside reverse transcriptase inhibitor with an EC50 of 0.01 μM in PBMC cell. It is an antiviral agent for the treatment of HIV infection.
Synonyms BW1592-15N,d2
IUPAC Name 4-(15N)azanyl-1-[(2R,5S)-2-[dideuterio(hydroxy)methyl]-1,3-oxathiolan-5-yl]-5-fluoropyrimidin-2-one
Molecular Weight 250.25
Molecular Formula C8H8D2FN215NO3S
Canonical SMILES O=C1N(C=C(C([15NH2])=N1)F)[C@@]2([H])O[C@H](SC2)C([2H])([2H])O
InChI 1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i2D2,10+1
InChI Key XQSPYNMVSIKCOC-SOECANAFSA-N
Storage Keep container closed when no tin use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances
Isotopic Enrichment 98 atom % 15N
Type Labeled Reference Standards
Unlabeled CAS 143491-57-0
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