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Substance Name: Thiodemecolcine
RN: 76129-11-8
InChIKey: RRCKMQLZGKWNPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O4-S

Molecular Weight

  • 387.4975
 
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Names and Synonyms

Name of Substance

  • Thiodemecolcine

Synonyms

  • 4-14-00-00954 (Beilstein Handbook Reference)
  • BRN 3170982
  • NSC 221662
  • Thiodemecolcine

Systematic Name

  • Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-trimethoxy-, (S)-

Registry Numbers

CAS Registry Number

  • 76129-11-8

System Generated Number

  • 0076129118

Structure Descriptors

InChI

1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3

InChIKey

RRCKMQLZGKWNPR-UHFFFAOYSA-N

Smiles

CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985.