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Substance Name: 5'-Palmitoyl cytarabine
RN: 31088-06-9
UNII: TFX122G3KD
InChIKey: SHBAKEKBTCPUFI-OUJCMCIWSA-N

Molecular Formula

  • C25-H43-N3-O6

Molecular Weight

  • 481.63
 
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Names and Synonyms

Name of Substance

  • 5'-Palmitoyl cytarabine

Synonyms

  • 1-beta-D-Arabinofuranosylcytosine 5'-palmitate
  • 1-beta-D-Arabinofuranosylcytosine 5'-palmitoyl ester
  • 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
  • AI3-62073
  • Arabinosyl cytosine palmitate
  • Aracytidine 5'-palmitate
  • Cytosine, 1-beta-D-arabinofuranosyl-, 5'-palmitate
  • NSC 135962
  • P-Ara-C
  • Palm O-ara-C
  • Palmitic acid, 5'-ester with 1-beta-D-arabinofuranosylcytosine
  • Palmitoyl cytarabine
  • Palmo-Ara-C
  • UNII-TFX122G3KD

Systematic Names

  • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-
  • 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2-(1H)-pyrimidinone
  • Cytosine, 1-beta-D-arabinofuranosyl-, 5'-palmitate (8CI)

Registry Numbers

CAS Registry Number

  • 31088-06-9

FDA UNII

  • TFX122G3KD

System Generated Number

  • 0031088069

Structure Descriptors

InChI

1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23+,24-/m1/s1

InChIKey

SHBAKEKBTCPUFI-OUJCMCIWSA-N

Smiles

n1([C@@H]2O[C@H](COC(CCCCCCCCCCCCCCC)=O)[C@H]([C@@H]2O)O)c(nc(N)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.03 (none)   EXP
Water Solubility 0.048 mg/L 25 EST
Vapor Pressure 2.01E-17 mm Hg 25 EST
Henry's Law Constant 5.39E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.