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Substance Name: 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene
RN: 125210-89-1
InChIKey: JJOYNCBCVLMZSU-UHFFFAOYSA-N

Note

  • From Leptosphaeria sp. L-179; degredation product of MK 4588.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-N2-O

Molecular Weight

  • 210.235
 
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Names and Synonyms

Name of Substance

  • 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene

Synonym

  • (Z)-2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene

Systematic Name

  • Butanedinitrile, ((4-methoxyphenyl)methylene)methylene-, (Z)-

Registry Numbers

CAS Registry Number

  • 125210-89-1

System Generated Number

  • 0125210891

Structure Descriptors

InChI

1S/C13H10N2O/c1-16-13-6-4-11(5-7-13)2-3-12(10-15)8-9-14/h2,4-7H,8H2,1H3

InChIKey

JJOYNCBCVLMZSU-UHFFFAOYSA-N

Smiles

C(C(CC#N)=C=Cc1ccc(cc1)OC)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 40mg/kg (40mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 456, 1990.