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Substance Name: 3-Demethylthiocolchicine
RN: 87424-25-7
UNII: 18LC87Z10L
InChIKey: PKYOHQGXPPVIGD-HNNXBMFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O5-S

Molecular Weight

  • 401.4807
 
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Names and Synonyms

Name of Substance

  • 3-Demethylthiocolchicine

Synonyms

  • 3-Demethylthiocolchicine
  • 4-14-00-00956 (Beilstein Handbook Reference)
  • BRN 3176383
  • Colchicine, O(sup 3)-demethyl-10-thio-
  • O(sup 3)-Demethyl-10-thiocolchicine
  • UNII-18LC87Z10L

Systematic Names

  • Acetamide, N-((7S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-
  • Acetamide, N-(5,6,7,9-tetrahydro-1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-

Registry Numbers

CAS Registry Number

  • 87424-25-7

FDA UNII

  • 18LC87Z10L

System Generated Number

  • 0087424257

Structure Descriptors

InChI

1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

InChIKey

PKYOHQGXPPVIGD-HNNXBMFYSA-N

Smiles

COc1c(O)cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11300ug/kg (11.3mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985.