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Substance Name: Thiocolchicine
RN: 2730-71-4
UNII: 47541468FI
InChIKey: CMEGANPVAXDBPL-INIZCTEOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O5-S

Molecular Weight

  • 415.5075
 
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Names and Synonyms

Name of Substance

  • Thiocholchicine
  • Thiocolchicine

Synonyms

  • 10-Demethoxy-10-methylthiocolchicine
  • Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-
  • Colchicine, 10-demethoxy-10-(methylthio)-
  • Colchicine, 10-thio-
  • EC 220-346-8
  • EINECS 220-346-8
  • NSC 186301
  • Thiocolchicine
  • UNII-47541468FI

Systematic Names

  • Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI)
  • Colchicine, 10-demethoxy-10-methylthio-
  • Colchicine, 10-thio- (8CI)
  • Thiocolchicine

Registry Numbers

CAS Registry Number

  • 2730-71-4

FDA UNII

  • 47541468FI

System Generated Number

  • 0002730714

Structure Descriptors

InChI

1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey

CMEGANPVAXDBPL-INIZCTEOSA-N

Smiles

COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 997ug/kg (0.997mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 193 deg C   EXP
log P (octanol-water) 2.370 (none)   EST
Atmospheric OH Rate Constant 2.86E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.