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Substance Name: N(6)-Methyl-2',3'-dideoxy-2'-fluoro-beta-arabinofuranosyladenine
RN: 126502-17-8
InChIKey: BBUZAEMTTVCRAD-OKTBNZSVSA-N

Note

  • Prodrug of 2'-F-ara-ddI and 2'-F-ara-ddA.

Molecular Formula

  • C11-H14-F-N5-O2

Molecular Weight

  • 267.2626
 
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Names and Synonyms

Name of Substance

  • N(6)-Methyl-2',3'-dideoxy-2'-fluoro-beta-arabinofuranosyladenine

Synonyms

  • 9-(2,3-Dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-N-methyl-9H-purin-6-amine
  • Fmadda
  • NSC 625374

Systematic Name

  • 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 126502-17-8

System Generated Number

  • 0126502178

Structure Descriptors

InChI

1S/C11H14FN5O2/c1-13-9-8-10(15-4-14-9)17(5-16-8)11-7(12)2-6(3-18)19-11/h4-7,11,18H,2-3H2,1H3,(H,13,14,15)/t6-,7-,11+/m0/s1

InChIKey

BBUZAEMTTVCRAD-OKTBNZSVSA-N

Smiles

CNc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C[C@@H]3F

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.27 (none)   EXP
Water Solubility 545 mg/L 25 EST
Vapor Pressure 8.97E-11 mm Hg 25 EST
Henry's Law Constant 3.64E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

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