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Substance Name: Guanine
RN: 73-40-5
UNII: 5Z93L87A1R
InChIKey: UYTPUPDQBNUYGX-UHFFFAOYSA-N

Classification Codes

  • Antiviral (COVID-19)
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C5-H5-N5-O

Molecular Weight

  • 151.1285
 
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Names and Synonyms

Name of Substance

  • 2-Amino-1,7-dihydro-6H-purin-6-one
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-
  • CI 75170
  • Guanine
  • Natural Pearl Essence
  • Natural White 1
  • Pearl Essence

MeSH Heading

  • Guanine

Synonyms

  • 2-Amino-6-hydroxypurine
  • 2-Amino-6-purinol
  • 2-Aminohypoxanthine
  • 6-Hydroxy-2-aminopurine
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-
  • AI3-24393
  • C.I. 75170
  • C.I. Natural White 1
  • CI 75170
  • CI Natural white 1
  • Dew Pearl
  • EINECS 200-799-8
  • Guanin
  • Guanine
  • Guanine enol
  • HSDB 2127
  • Hypoxanthine, 2-amino-
  • Mearlmaid
  • Natural Pearl Essence
  • Natural White 1
  • Naturon
  • Pathocidin
  • Pearl Essence
  • Stella Polaris
  • UNII-5Z93L87A1R

Systematic Names

  • 6H-Purin-6-one, 2-amino-1,7-dihydro-
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-
  • Guanine

Registry Numbers

CAS Registry Number

  • 73-40-5

FDA UNII

  • 5Z93L87A1R

Other Registry Numbers

  • 11006-44-3
  • 158475-99-1
  • 15986-36-4
  • 37432-34-1
  • 492-33-1
  • 54435-87-9
  • 66224-64-4
  • 69257-39-2
  • 8039-79-0
  • 929247-29-0
  • 934585-79-2
  • 936902-27-1

System Generated Number

  • 0000073405

Structure Descriptors

InChI

InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey

UYTPUPDQBNUYGX-UHFFFAOYSA-N

Smiles

NC1=Nc2nc[nH]c2C(=O)N1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Annals of the New York Academy of Sciences. Vol. 60, Pg. 251, 1954.
mouse LD oral > 3333mg/kg (3333mg/kg)   French Medicament Patent Document. Vol. #2698M,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 360 dec deg C   EXP
log P (octanol-water) -0.91 (none)   EXP
Water Solubility 2080 mg/L 37 EXP
Vapor Pressure 9.60E-11 mm Hg 25 EST
Henry's Law Constant 2.62E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.25E-11 cm3/molecule-sec 25 EST

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