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Substance Name: Thalicberan, 6,7,7',12-tetramethoxy-2,2'-dimethyl- (9CI)
RN: 5096-71-9
InChIKey: UUURWWVPMHAACP-KYJUHHDHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H42-N2-O6

Molecular Weight

  • 622.758
 
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Names and Synonyms

Synonyms

  • 6,7,7',12-Tetramethoxy-2,2'-dimethylthalicberan
  • NSC 269189
  • O-Methylthalicberine
  • Thalicberine, O-methyl-
  • Thalmidine

Systematic Names

  • Thalicberan, 6,7,7',12-tetramethoxy-2,2'-dimethyl- (9CI)
  • Thalicberine, O-methyl-

Registry Numbers

CAS Registry Number

  • 5096-71-9

Other Registry Numbers

  • 1361-58-6
  • 25161-55-1

System Generated Number

  • 0005096719

Structure Descriptors

InChI

1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1

InChIKey

UUURWWVPMHAACP-KYJUHHDHSA-N

Smiles

c12c3[C@@H]([N@@](CCc3cc(c1OC)OC)C)Cc1cc(c(cc1)OC)Oc1ccc(C[C@H]3c4cc(c(cc4CC[N@@]3C)O2)OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.