Chemical Compound

Valnivudine

CAS Registry Number956483-02-6
Valnivudine chemical structure
Primary record

Valnivudine

CAS
956483-02-6
PubChem CID
16063377
SMILES
CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)COC(=O)[C@H](C(C)C)N)O
Molecular Formula
C27H35N3O6
Molecular Weight
497.592
Exact Mass
497.2526
InChI
InChI=1S/C27H35N3O6/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3/t20-,22+,23+,24-/m0/s1
InChIKey
FJRRWJMFUNGZBJ-RBVMOCNTSA-N
LogP
3.5641
TPSA
129.81

Names and synonyms

  • Valnivudine
  • FV-100 free base
  • valnivudina
  • valnivudinum
  • UNII-0NJ5F6D4U7
  • VALNIVUDINE [INN]
  • RefChem:193598
  • 0NJ5F6D4U7
  • 956483-02-6
  • VALNIVUDINE [WHO-DD]
  • DTXSID30241909
  • orb1699027
  • CHEMBL4300944
  • SCHEMBL17709483
  • DTXCID10164400
  • FJRRWJMFUNGZBJ-RBVMOCNTSA-N
  • MFCD30146049
  • AKOS040749738
  • DA-68526
  • HY-109016
  • CS-0030514
  • A1042234
  • Q27237002
  • [(2R,3S,5R)-3-hydroxy-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
  • ((2R,3S,5R)-3-hydroxy-5-(2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3(2H)-yl)tetrahydrofuran-2-yl)methyl L-valinate
  • (S)-((2R,3S,5R)-3-Hydroxy-5-(2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3(2H)-yl)tetrahydrofuran-2-yl)methyl 2-amino-3-methylbutanoate
  • L-VALINE, 5'-ESTER WITH 3-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-6-(4-PENTYLPHENYL)FURO(2,3-D)PYRIMIDIN-2(3H)-ONE
  • ((2R,3S,5R)-3-HYDROXY-5-(2-OXO-6-(4-PENTYLPHENYL)FURO(2,3- D)PYRIMIDIN-3(2H)-YL)OXOLAN-2-YL)METHYL L-VALINATE ANTIVIRAL
  • ((2R,3S,5R)-3-HYDROXY-5-(2-OXO-6-(4-PENTYLPHENYL)FURO(2,3-D)PYRIMIDIN-3(2H)-YL)OXOLAN-2-YL)METHYL L-VALINATE ANTIVIRAL
  • (S)-((2R,3S,5R)-(3-Hydroxy-5-(2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3(2H)-yl)-tetrahydrofuran-2-yl))methyl 2-amino-3-methylbutanoate