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Substance Name: Diatretyne 2
RN: 463-15-0
UNII: 901HZ602ZX
InChIKey: DMGKNZBGIHCAMP-GQCTYLIASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C8-H3-N-O2

Molecular Weight

  • 145.117
 
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Names and Synonyms

Name of Substance

  • Diatretyne 2

Synonyms

  • 4-02-00-02346 (Beilstein Handbook Reference)
  • 7-Cyano-trans-2-heptene-4,6-diynoic acid
  • BRN 1703425
  • Diatretyne 2
  • Diatretynnitril
  • UNII-901HZ602ZX

Systematic Name

  • 2-Heptene-4,6-diynoic acid, 7-cyano-, (E)-

Registry Numbers

CAS Registry Number

  • 463-15-0

FDA UNII

  • 901HZ602ZX

System Generated Number

  • 0000463150

Structure Descriptors

InChI

1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+

InChIKey

DMGKNZBGIHCAMP-GQCTYLIASA-N

Smiles

C(#CC#CC#N)\C=C\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 371, 1981.