ChemSpider 2D Image | Entecavir monohydrate | C12H17N5O4

Entecavir monohydrate

  • Molecular FormulaC12H17N5O4
  • Average mass295.294 Da
  • Monoisotopic mass295.128052 Da
  • ChemSpider ID10482312
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Entecavir monohydrate
209216-23-9 [RN]
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Monohydrate
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylencyclopentyl]-1,9-dihydro-6H-purin-6-onhydrat (1:1) [German] [ACD/IUPAC Name]
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate (1:1) [ACD/IUPAC Name]
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxyméthyl)-2-méthylènecyclopentyl]-1,9-dihydro-6H-purin-6-one, hydrate (1:1) [French] [ACD/IUPAC Name]
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidencyclopentyl]-1,9-dihydro-6H-purin-6-onhydrat
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxyméthyl)-2-méthylidènecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SQ 34676 [DBID]
BMS 200475 [DBID]
BMS-200475 [DBID]
SQ-34676 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 089812
      P261; P262 Biosynth Q-101311
    • Chemical Class:

      The monohydrate form of entecavir. A synthetic analogue of 2'-deoxyguanosine, entecavir is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. It is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every s tage of the enzyme's activity, although it has no activity against HIV. Enteclavir is used for the treatment of chronic hepatitis B. ChEBI CHEBI:59902
    • Bio Activity:

      Anti-infection MedChem Express HY-13623A
      Anti-infection; MedChem Express HY-13623A
      Entecavir monohydrate(SQ 34676; BMS 200475) is a nucleoside analog that inhibits reverse transcription; entecavir is used to treat chronic hepatitis B. MedChem Express
      Entecavir monohydrate(SQ 34676; BMS 200475) is a nucleoside analog that inhibits reverse transcription; entecavir is used to treat chronic hepatitis B.; IC50 value: ; Target: HBV; Entecavir monohydrate is an oral antiviral drug used in the treatment of hepatitis B infection. MedChem Express HY-13623A
      Entecavir monohydrate(SQ 34676; BMS 200475) is a nucleoside analog that inhibits reverse transcription; entecavir is used to treat chronic hepatitis B.;IC50 value: ;Target: HBVEntecavir monohydrate is an oral antiviral drug used in the treatment of hepatitis B infection. Entecavir monohydrate is a nucleoside analog (more specifically, a guanine analogue) that inhibits reverse transcription, DNA replication and transcription in the viral replication process. Entecavir monohydrate is more efficacious than previous agents used to treat hepatitis B (lamivudine and adefovir). Entecavir monohydrate is also indicated for the treatment of chronic hepatitis B in adults with HIV/AIDS infection. However, Entecavir is not active against HIV [1]. Entecavir cumulative urinary excretion was statistically significant at 45 and 60min. CLR(4?C), CLR(37?C Control) and CLR(37?C Experiment) were 12.6, 27.6 and 36 (ml/min/kg), respectively. CLTS and TR rate (for PEPT2) were 25.3 and 9.4 (ml/min/kg). MedChem Express HY-13623A
      HBV MedChem Express HY-13623A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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