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Substance Name: Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)-
RN: 50823-54-6
InChIKey: XXDOBLSPYAARGH-YVLHZVERSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N3-O3-S

Molecular Weight

  • 323.4149
 
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Names and Synonyms

Synonyms

  • 2-(5,7,8,9-Tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)hydrazinecarbothioamide
  • 6-Thiosemicarbazono-2,3,4-trimethoxybenzocycloheptane

Systematic Name

  • Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-2,3,4-trimethoxy-6H-benzocyclohepten-6-ylidene)-

Registry Numbers

CAS Registry Number

  • 50823-54-6

System Generated Number

  • 0050823546

Structure Descriptors

InChI

1S/C15H21N3O3S/c1-19-12-7-9-5-4-6-10(17-18-15(16)22)8-11(9)13(20-2)14(12)21-3/h7H,4-6,8H2,1-3H3,(H3,16,18,22)/b17-10-

InChIKey

XXDOBLSPYAARGH-YVLHZVERSA-N

Smiles

COc1cc2c(c(c1OC)OC)C/C(=N\NC(=S)N)/CCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1394, 1973.