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Substance Name: UK 21
RN: 134423-92-0
InChIKey: BRWICCRLZVPGRD-DKMDIHIKSA-N

Molecular Formula

  • C39-H62-F-N5-O12

Molecular Weight

  • 811.94
 
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Names and Synonyms

Name of Substance

  • UK 21

Synonyms

  • 2',3',5'-Tris-O-(N -(2-n-propyl-n-pentanoyl)glycyl)-5-fluorouridine
  • UK-21

Systematic Name

  • Glycine, N-(1-oxo-2-propylpentyl)-, triester with 5-fluorouridine

Registry Numbers

CAS Registry Number

  • 134423-92-0

System Generated Number

  • 0134423920

Structure Descriptors

InChI

1S/C39H62FN5O12/c1-7-13-24(14-8-2)34(49)41-19-29(46)54-23-28-32(56-30(47)20-42-35(50)25(15-9-3)16-10-4)33(38(55-28)45-22-27(40)37(52)44-39(45)53)57-31(48)21-43-36(51)26(17-11-5)18-12-6/h22,24-26,28,32-33,38H,7-21,23H2,1-6H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52,53)/t28-,32-,33-,38-/m1/s1

InChIKey

BRWICCRLZVPGRD-DKMDIHIKSA-N

Smiles

O(C[C@@H]1[C@@H](OC(CNC(C(CCC)CCC)=O)=O)[C@@H](OC(CNC(C(CCC)CCC)=O)=O)[C@@H](O1)n1c(=O)[nH]c(=O)c(c1)F)C(CNC(C(CCC)CCC)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #5049551,