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Substance Name: Entecavir maleate
RN: 911138-73-3
UNII: 92A92XBK4S
InChIKey: UEXBBJAYBDAHLG-FJESMAGSSA-N

Molecular Formula

  • C12-H15-N5-O3.C4-H4-O4

Molecular Weight

  • 393.3541
 
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Names and Synonyms

Name of Substance

  • Entecavir maleate

Synonyms

  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, (2Z)-2-butenedioate (1:1)
  • Entecavir maleate
  • UNII-92A92XBK4S

Registry Numbers

CAS Registry Number

  • 911138-73-3

FDA UNII

  • 92A92XBK4S

System Generated Number

  • 0911138733

Structure Descriptors

InChI

1S/C12H15N5O3.C4H4O4/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;5-3(6)1-2-4(7)8/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1-2H,(H,5,6)(H,7,8)/b;2-1-/t6-,7-,8-;/m0./s1

InChIKey

UEXBBJAYBDAHLG-FJESMAGSSA-N

Smiles

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