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Substance Name: Psicofuranine
RN: 1874-54-0
UNII: NN8Z1MZB7L
InChIKey: BNZYRKVSCLSXSJ-IOSLPCCCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-N5-O5

Molecular Weight

  • 297.27
 
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Names and Synonyms

Name of Substance

  • Psicofuranine

Synonyms

  • 1'-(Hydroxymethyl)adenosine
  • 4-26-00-03694 (Beilstein Handbook Reference)
  • 6-Amino-9-D-psicofuranosylpurine
  • 9-beta-D-Psicofuranosyl-9H-purin-6-amine
  • 9-beta-D-Psicofuranosyladenine
  • 9-D-Psicofuranosyl-6-aminopurine
  • 9H-Purine, 6-amino-9-beta-D-psicofuranosyl-
  • Adenine, 9beta-D-psicofuranosyl-
  • AI3-50820
  • Angustmycin C
  • BRN 0095142
  • NSC 53104
  • Psicofuranine
  • Psicofuranosyladenine
  • U 9586
  • U-9586
  • UNII-NN8Z1MZB7L

Systematic Names

  • 9H-Purin-6-amine, 9-beta-D-psicofuranosyl-
  • Adenine, 9-beta-D-psicofuranosyl-

Registry Numbers

CAS Registry Number

  • 1874-54-0

FDA UNII

  • NN8Z1MZB7L

Other Registry Number

  • 1194684-89-3

System Generated Number

  • 0001874540

Structure Descriptors

InChI

1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChIKey

BNZYRKVSCLSXSJ-IOSLPCCCSA-N

Smiles

c12c(ncn2[C@@]2(O[C@H](CO)[C@H]([C@H]2O)O)CO)c(ncn1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 10gm/kg (10000mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 intraperitoneal 1695mg/kg (1695mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 oral 13mg/kg (13mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 842, 1978.
mouse LD50 subcutaneous 6mg/kg (6mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 842, 1978.
rat LD50 oral 10gm/kg (10000mg/kg)   Antibiotics and Chemotherapy Vol. 9, Pg. 675, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 212 deg C   EXP
log P (octanol-water) 0.080 (none)   EST
Water Solubility 8000 mg/L 25 EXP
Atmospheric OH Rate Constant 2.53E-10 cm3/molecule-sec 25 EST

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