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Substance Name: Nebularine
RN: 550-33-4
UNII: B8B604PS4P
InChIKey: MRWXACSTFXYYMV-FDDDBJFASA-N

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antineoplastic Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O4

Molecular Weight

  • 252.2288
 
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Names and Synonyms

Name of Substance

  • Nebularine

Synonyms

  • 4-26-00-01740 (Beilstein Handbook Reference)
  • 9-(beta-D-Ribofuranosyl)purine
  • 9-beta-D-Ribofuranosyl-9H-purine
  • 9-beta-Ribofuranosylpurine
  • 9-Purine ribonucleoside
  • 9H-Purine, 9-beta-D-ribofuranosyl-
  • 9H-Purine, 9beta-D-ribofuranosyl-
  • BRN 0091539
  • EINECS 208-981-9
  • Isopurine, ribosyl-
  • L 534857-0-2
  • Nebularin(E)
  • Nebularine
  • NSC 65423
  • Purine ribonucleoside
  • Purine riboside
  • Purine, ribosyl-
  • Purinosine
  • Ribosylpurine
  • UNII-B8B604PS4P

Systematic Names

  • 9-beta-D-Ribofuranosyl-9H-purine
  • 9H-Purine, 9-beta-D-ribofuranosyl-

Registry Numbers

CAS Registry Number

  • 550-33-4

FDA UNII

  • B8B604PS4P

System Generated Number

  • 0000550334

Structure Descriptors

InChI

1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1

InChIKey

MRWXACSTFXYYMV-FDDDBJFASA-N

Smiles

c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: OTHER CHANGES
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 14, Pg. 391, 1955.
mouse LD50 intravenous 50mg/kg (50mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 289, 1981.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 289, 1981.
rat LD50 subcutaneous 220mg/kg (220mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: OTHER CHANGES
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 14, Pg. 391, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181 deg C   EXP
log P (octanol-water) -1.470 (none)   EST
Water Solubility 1.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 7.44E-11 cm3/molecule-sec 25 EST

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