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Substance Name: Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-4-hydroxy-2,3-dimethoxy-6H- benzocyclohepten-6-ylidene)-
RN: 50823-50-2
InChIKey: HFPHTEDFAAEDHL-SXGWCWSVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N3-O3-S

Molecular Weight

  • 309.3881
 
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Names and Synonyms

Synonym

  • 2,3-Dimethoxy-4-hydroxy-6-thiosemicarbazonobenzocycloheptane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50823-50-2

System Generated Number

  • 0050823502

Structure Descriptors

InChI

1S/C14H19N3O3S/c1-19-11-6-8-4-3-5-9(16-17-14(15)21)7-10(8)12(18)13(11)20-2/h6,18H,3-5,7H2,1-2H3,(H3,15,17,21)/b16-9-

InChIKey

HFPHTEDFAAEDHL-SXGWCWSVSA-N

Smiles

COc1cc2c(c(c1OC)O)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.