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Substance Name: Adamantoylcytarabine
RN: 23113-01-1
InChIKey: NMANUXYHRYVLDW-UITAOGKOSA-N

Molecular Formula

  • C20-H27-N3-O6

Molecular Weight

  • 405.4483
 
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Names and Synonyms

Name of Substance

  • Adamantoylcytarabine

Synonyms

  • 1-(4-Amino-1,2-dihydro-2-oxo-1-pyrimidinyl)-5-O-1-D-arabinofuranosyl 1-adamantancarboxylat
  • 1-beta-D-Arabinoofuranosylcytosine 5'-adamantanecarboxylate
  • 1-beta-D-Arabinoofuranosylcytosine 5'-adamantoate
  • 5'-Adamantoyl cytarabine
  • Adam CA
  • Adamantoyl cytarabine
  • Adamotyl ara-C
  • ADOCA
  • Aracytidine 5'-adamantoate
  • NSC 117614
  • U 26516

Systematic Names

  • 1-Adamantanecarboxylic acid, 5'-ester with 1-beta-D-arabinofuranosylcytosine
  • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-(tricyclo(3.3.1.1.(3,7))dec-1-ylcarbonyl)-beta -D-arabinofuranosyl)- (9CI)
  • Cytosine, 1-beta-D-arabinofuranosyl-, 5'-(1-adamantanecarboxylate) (8CI)

Registry Numbers

CAS Registry Number

  • 23113-01-1

Other Registry Numbers

  • 23113-11-3
  • 34624-43-6

System Generated Number

  • 0023113011

Structure Descriptors

InChI

1S/C20H27N3O6/c21-14-1-2-23(19(27)22-14)17-16(25)15(24)13(29-17)9-28-18(26)20-6-10-3-11(7-20)5-12(4-10)8-20/h1-2,10-13,15-17,24-25H,3-9H2,(H2,21,22,27)/t10?,11?,12?,13-,15-,16+,17-,20?/m1/s1

InChIKey

NMANUXYHRYVLDW-UITAOGKOSA-N

Smiles

NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](O)[C@@H]2O