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Substance Name: NUC-1031
RN: 840506-29-8
UNII: XCL1K2T28K
InChIKey: NHTKGYOMICWFQZ-KKQYNPQSSA-N

Molecular Formula

  • C25-H27-F2-N4-O8-P

Molecular Weight

  • 580.4744
 
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Names and Synonyms

Name of Substance

  • NUC-1031

Synonyms

  • Acelarin
  • Benzyl (2S)-2-((((2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl)methoxy-phenoxy-phosphoryl)amino)propanoate
  • CPF-31
  • L-Alanine, N-(2'-deoxy-2',2'-difluoro-p-phenyl-5'-cytidylyl)-, phenylmethyl ester
  • NUC-1031
  • UNII-XCL1K2T28K

Registry Numbers

CAS Registry Number

  • 840506-29-8

FDA UNII

  • XCL1K2T28K

System Generated Number

  • 0840506298

Structure Descriptors

InChI

1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1

InChIKey

NHTKGYOMICWFQZ-KKQYNPQSSA-N

Smiles

C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(F)(F)[C@@H]1O)Oc3ccccc3)C(=O)OCc4ccccc4