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Substance Name: 1H-Pyrrole-2-carboxaldehyde, 4-(4-((3-methyl-2-butenyl)oxy)phenyl)thiosemicarbazone
RN: 119033-89-5
InChIKey: BJMSSGDGZASQCI-XDHOZWIPSA-N

Molecular Formula

  • C17-H20-N4-O-S

Molecular Weight

  • 328.438
 
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Names and Synonyms

Synonyms

  • Hydrazinecarbothioamide, N-(4-((3-methyl-2-butenyl)oxy)phenyl)-2-(1H-pyrrol-2-ylmethylene)-
  • Semicarbazide, 4-(4-((3-methyl-2-butenyl)oxy)phenyl)-1-(2-pyrrolylmethylene)-3-thio-

Systematic Name

  • 1H-Pyrrole-2-carboxaldehyde, 4-(4-((3-methyl-2-butenyl)oxy)phenyl)thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 119033-89-5

System Generated Number

  • 0119033895

Structure Descriptors

InChI

1S/C17H20N4OS/c1-13(2)9-11-22-16-7-5-14(6-8-16)20-17(23)21-19-12-15-4-3-10-18-15/h3-10,12,18H,11H2,1-2H3,(H2,20,21,23)/b19-12+

InChIKey

BJMSSGDGZASQCI-XDHOZWIPSA-N

Smiles

CC(=CCOc1ccc(cc1)NC(=S)N/N=C/c2ccc[nH]2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 8683mg/kg (8683mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 822, 1989.