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Substance Name: Oxetanocin A
RN: 103913-16-2
InChIKey: LMJVXGOFWKVXAW-OXOINMOOSA-N

Note

  • From Bacillus megaterium NK84-0218.

Classification Codes

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

Molecular Formula

  • C10-H13-N5-O3

Molecular Weight

  • 251.2447
 
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Names and Synonyms

Results Name

  • Oxetanocin A

Name of Substance

  • Oxetanocin

Synonyms

  • 9-((2R,3R,4S)-3,4-Bis(hydroxymethyl)-2-oxetanyl)adenine
  • NK 84-0218
  • Oxetanocin
  • Oxetanocin A

Systematic Name

  • 2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2S-(2-alpha,3-beta,4-alpha))-

Registry Numbers

CAS Registry Number

  • 103913-16-2

System Generated Number

  • 0103913162

Structure Descriptors

InChI

1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1

InChIKey

LMJVXGOFWKVXAW-OXOINMOOSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4892876,
mouse LD intravenous > 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 1623, 1986.