N-Carboxybenzyl Gemcitabine | CAS No. 138685-83-3

N-Carboxybenzyl Gemcitabine

Basic Information

CAS Number

138685-83-3

Molecular Formula

C17H17F2N3O6

Molecular Weight

397.33 g/mol

AD

Basic Physical Properties

C1=CC=C(C=C1)COC(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)(F)F

InChI

InChI=1S/C17H17F2N3O6/c18-17(19)13(24)11(8-23)28-14(17)22-7-6-12(20-15(22)25)21-16(26)27-9-10-4-2-1-3-5-10/h1-7,11,13-14,23-24H,8-9H2,(H,20,21,25,26)/t11-,13-,14-/m1/s1

InChIKey

KFZMOOGZFANFGH-MRVWCRGKSA-N

LogP

0.8778999999999997

Topological Polar Surface Area

122.91000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

665

Synonyms & References

English

  • N-Carboxybenzyl Gemcitabine
  • 4-(benzyloxycarbonylamino)-1-(2-deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
  • N-CARBOXYBENZYL GEMCITABINE,YELLOW POWDER
  • N-CBZ GEMCITABINE
  • EN300-28303072
  • 138685-83-3
  • Cytidine, 2'-deoxy-2',2'-difluoro-N-[(phenylmethoxy)carbonyl]-
  • benzyl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
  • SCHEMBL13160956
  • 2'-Deoxy-2',2'-difluoro-N-[(phenylmethoxy)carbonyl]-cytidine; [1-(2-Deoxy-2,2-difluoro-ss-D-erythro-pentofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]- carbamic Acid Phenylmethyl Ester
  • KFZMOOGZFANFGH-MRVWCRGKSA-N
  • Benzyl (1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
  • benzyl N-{1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate

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