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Substance Name: 6-Azathymine
RN: 932-53-6
UNII: ZWX58T58ZA
InChIKey: XZWMZFQOHTWGQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H5-N3-O2

Molecular Weight

  • 127.1025
 
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Names and Synonyms

Name of Substance

  • 6-Azathymine

Synonyms

  • 3,5-Dihydroxy-6-methyl-1,2,4-triazine
  • 5-Methyl-6-azauracil
  • 6-Azathymine
  • 6-Methyl-1,2,4-triazine-3,5(2H,4H)-dione
  • 6-Methyl-1,2,4-triazine-3,5-dione
  • 6-Methyl-as-triazine-3,5-(2H,4H)-dione
  • 6-Methyl-as-triazine-3,5-diol
  • AI3-50849
  • Azathymine
  • CCRIS 3440
  • EINECS 213-253-9
  • NSC 3426
  • NSC 38620
  • UNII-ZWX58T58ZA
  • USAF CB-28

Systematic Names

  • 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl- (9CI)
  • 6-Azathymine
  • 6-Methyl-1,2,4-triazine-3,5-diol
  • as-Triazine-3,5(2H,4H)-dione, 6-methyl-

Registry Numbers

CAS Registry Number

  • 932-53-6

FDA UNII

  • ZWX58T58ZA

Other Registry Number

  • 16075-91-5

System Generated Number

  • 0000932536

Structure Descriptors

InChI

1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey

XZWMZFQOHTWGQE-UHFFFAOYSA-N

Smiles

[nH]1c(c(C)n[nH]c1=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD50 intraperitoneal 1800mg/kg (1800mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 95, Pg. 123, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211 deg C   EXP
log P (octanol-water) -0.120 (none)   EST
Atmospheric OH Rate Constant 2.53E-12 cm3/molecule-sec 25 EST

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