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Substance Name: Entecavir [USAN:INN]
RN: 209216-23-9
UNII: 5968Y6H45M
InChIKey: YXPVEXCTPGULBZ-WQYNNSOESA-N

Classification Codes

  • Anti-Infective Agents
  • Antiviral Agents
  • Antiviral used in the Treatment of Hepatitis B Infection
  • Treatment of Hepatitis B Infection

Molecular Formula

  • C12-H15-N5-O3.H2-O

Molecular Weight

  • 295.2973
 
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Names and Synonyms

Name of Substance

  • Entecavir
  • Entecavir [USAN:INN]

Synonyms

  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)- monohydrate
  • 9-((1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate
  • BMS 200475-01
  • BMS-200475-01
  • Entecavir
  • Entecavir monohydrate
  • UNII-5968Y6H45M

Systematic Name

  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, monohydrate

Registry Numbers

CAS Registry Number

  • 209216-23-9

FDA UNII

  • 5968Y6H45M

System Generated Number

  • 0209216239

Molecular Formulas

Molecular Formula

  • C12-H15-N5-O3.H2-O

Molecular Formula Fragments

  • C12-H15-N5-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1

InChIKey

YXPVEXCTPGULBZ-WQYNNSOESA-N

Smiles

O.NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1