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(Z)-9-Propenyladenine

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Category Human immunodeficiency Virus (HIV)
CAS 1464851-21-5
Description (Z)-9-Propenyladenine is a mutagenic impurity of tenofovir disoproxil fumarate. Tenofovir is a nucleotide analogue reverse transcriptase (NtART) inhibitor used as an antiretroviral drug.
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Product Information

Synonyms (Z)-Mutagenic Impurity of Tenofovir Disoproxil; (Z)-9-(prop-1-en-1-yl)-9H-purin-6-amine; 9-[(Z)-1-Propenyl]-9H-purine-6-amine
IUPAC Name 9-[(Z)-prop-1-enyl]purin-6-amine
Molecular Weight 175.19
Molecular Formula C8H9N5
Canonical SMILES CC=CN1C=NC2=C(N=CN=C21)N
InChI InChI=1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2-5H,1H3,(H2,9,10,11)/b3-2-
InChIKey ACWCANXGLNLMJB-IHWYPQMZSA-N
Boiling Point 415.6±48.0°C (Predicted)
Flash Point 205.2±29.6 °C
Purity ≥97%
Density 1.39±0.1 g/cm3 (Predicted)
Solubility Soluble in DMSO
Appearance White to off-white (Solid)
Storage Store at -20°C
Complexity 205
Exact Mass 175.08579531
Index Of Refraction 1.715
Target HIV
Vapor Pressure 0.0±1.0 mmHg at 25°C
XLogP3-AA 0.8

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