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Entecavir

CAS Registry Number®

142217-69-4

CAS Name

Entecavir

Molecular Formula

C12H15N5O3

Molecular Mass

277.28

Cite this Page

Entecavir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142217-69-4 (retrieved 2024-11-24) (CAS RN: 142217-69-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246-248 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15N5O3/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)/t6-,7-,8-/m0/s1

InChIKey

InChIKey=QDGZDCVAUDNJFG-FXQIFTODSA-N

SMILES

C=C1[C@@H](N2C3=C(N=C2)C(=O)N=C(N)N3)C[C@H](O)[C@H]1CO

Canonical SMILES

O=C1N=C(N)NC2=C1N=CN2C3C(=C)C(CO)C(O)C3

Other Names for this Substance

  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, [1S-(1α,3α,4β)]-
  • 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
  • BMS 200475
  • Entecavir

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