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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Orthopoxvirus
- Others
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Virus Protease
- Antiviral intermediates
Entecavir Impurity 3
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| Category | Antiviral intermediates |
| CAS | 142217-80-9 |
| Description | An impurity of Entecavir. Entecavir is a reverse transcriptase inhibitor. It prevents the hepatitis B virus from multiplying and reduces the amount of virus in the body. |
Product Information
| Synonyms | 6-(Benzyloxy)-9-((1S,3R,3S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine |
| IUPAC Name | N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1S,3S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine |
| Molecular Weight | 820.01 |
| Molecular Formula | C53H49N5O4 |
| Canonical SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7=C)COCC8=CC=CC=C8)OCC9=CC=CC=C9 |
| InChI | InChI=1S/C53H49N5O4/c1-38-46(36-60-33-39-18-8-3-9-19-39)48(61-34-40-20-10-4-11-21-40)32-47(38)58-37-54-49-50(58)55-52(56-51(49)62-35-41-22-12-5-13-23-41)57-53(42-24-14-6-15-25-42,43-26-16-7-17-27-43)44-28-30-45(59-2)31-29-44/h3-31,37,46-48H,1,32-36H2,2H3,(H,55,56,57)/t46-,47+,48?/m1/s1 |
| InChIKey | OXHGMTPGAFKZHK-SHRDPCBYSA-N |
| Purity | > 95% |
| Density | 1.2±0.1 g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White Solid |
| Storage | Store at -20°C |
| Complexity | 1310 |
| Exact Mass | 819.378479 |
| Index Of Refraction | 1.636 |
| PSA | 92.55000 |
| XLogP3-AA | 10.2 |
