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Substance Name: Cytosine, 1-beta-D-arabino-furanosyl-, 2',3',5'-triacetate
RN: 6742-07-0
InChIKey: YTIZHZPRFYKRIG-RUZUBIRVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C15-H19-N3-O8

Molecular Weight

  • 369.328
 
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Names and Synonyms

Synonyms

  • 1-beta-D-Arabinofuranosyl-2',3',5'-triacetate
  • 1-beta-D-Arabinofuranosylcytosine triacetate
  • 1-beta-D-Arabinofuranosylcytosine, 2',3',5'-triacetate
  • Ara-C triacetate
  • Cytosine arabinoside triacetate
  • Cytosine, 1beta-D-arabinofuranosyl-, 2',3',5'-triacetate
  • NSC-93150
  • Tri-O-acetylarabinosylcytosine

Systematic Names

  • 2(1H)-Pyrimidinone, 4-amino-1-(2,3,5-tri-O-acetyl-beta-D-arabinofuranosyl)- (9CI)
  • Cytosine, 1-beta-D-arabino-furanosyl-, 2',3',5'-triacetate

Registry Numbers

CAS Registry Number

  • 6742-07-0

System Generated Number

  • 0006742070

Structure Descriptors

InChI

1S/C15H19N3O8/c1-7(19)23-6-10-12(24-8(2)20)13(25-9(3)21)14(26-10)18-5-4-11(16)17-15(18)22/h4-5,10,12-14H,6H2,1-3H3,(H2,16,17,22)/t10-,12-,13+,14-/m1/s1

InChIKey

YTIZHZPRFYKRIG-RUZUBIRVSA-N

Smiles

n1([C@H]2[C@H]([C@H](OC(C)=O)[C@H](O2)COC(C)=O)OC(C)=O)c(nc(N)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4400mg/kg (4400mg/kg)   Progress Report Submitted to the National Cancer Institute by Hazelton Laboratories, Inc. Vol. -, Pg. 353, 1967.
mouse LD50 intravenous 680mg/kg (680mg/kg)   Progress Report Submitted to the National Cancer Institute by Hazelton Laboratories, Inc. Vol. -, Pg. 353, 1967.
mouse LD50 oral > 5010mg/kg (5010mg/kg)   Progress Report Submitted to the National Cancer Institute by Hazelton Laboratories, Inc. Vol. -, Pg. 353, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.8 (none)   EXP
Water Solubility 1120 mg/L 25 EST
Vapor Pressure 7.85E-09 mm Hg 25 EST
Henry's Law Constant 4.32E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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