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Substance Name: Kethoxal [USAN]
RN: 27762-78-3
UNII: E00MDP82S4
InChIKey: YRCRRHNVYVFNTM-UHFFFAOYSA-N

Note

  • Modifies guanine containing oligoribonucleotides by reacting selectively with guanine in polynucleotides.

Molecular Formula

  • C6-H12-O4

Molecular Weight

  • 148.157
 

Classification Codes

  • Anti-Infective Agents
  • Antiviral
  • Antiviral Agents
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Kethoxal
  • Kethoxal [USAN]
  • Ketoxal [INN]

Synonyms

  • 3-Ethoxy-1,1-dihydroxy-2-butanone
  • beta-Ethoxy-alpha-ketobutyraldehyde
  • CCRIS 5167
  • Chetossale
  • Chetossale [DCIT]
  • Kethoxal
  • Ketoxal
  • Ketoxalum
  • Ketoxalum [INN-Latin]
  • U 2032
  • U-2032
  • UNII-E00MDP82S4

Systematic Names

  • 2-Butanone, 3-ethoxy-1,1-dihydroxy-
  • 3-Ethoxy-1,1-dihydroxy-2-butanone
  • Kethoxal

Registry Numbers

CAS Registry Number

  • 27762-78-3

FDA UNII

  • E00MDP82S4

System Generated Number

  • 0027762783

Structure Descriptors

InChI

1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3

InChIKey

YRCRRHNVYVFNTM-UHFFFAOYSA-N

Smiles

C([C@@H](OCC)C)(C(O)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 145 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 1.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 3.37E-11 cm3/molecule-sec 25 EST

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