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Substance Name: N-Nitroso(2-oxobutyl)(2-oxopropyl)amine
RN: 77698-20-5
InChIKey: PMENDGPEYXEHSF-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Tumor Data

Molecular Formula

  • C7-H12-N2-O3

Molecular Weight

  • 172.183
 
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Names and Synonyms

Name of Substance

  • N-Nitroso(2-oxobutyl)(2-oxopropyl)amine

Synonyms

  • N-Nitroso(2-oxobutyl)(2-oxopropyl)amine
  • OBOB

Systematic Names

  • 2-Butanone, 1-(N-acetonyl-N-nitrosoamino)-
  • 2-Butanone, 1-(nitroso(2-oxopropyl)amino)-

Registry Numbers

CAS Registry Number

  • 77698-20-5

System Generated Number

  • 0077698205

Structure Descriptors

InChI

1S/C7H12N2O3/c1-3-7(11)5-9(8-12)4-6(2)10/h3-5H2,1-2H3

InChIKey

PMENDGPEYXEHSF-UHFFFAOYSA-N

Smiles

N(CC(CC)=O)(CC(C)=O)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 174mg/kg (174mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHANGE IN OLFACTORY NERVE: OLFACTION

LIVER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Cancer Letters Vol. 12, Pg. 223, 1981.