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Substance Name: O2-demethylcolchicine
RN: 7336-36-9
UNII: V9U19L3N0J
InChIKey: DPOVAJCRYIUTBD-HNNXBMFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O6

Molecular Weight

  • 385.4137
 
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Names and Synonyms

Name of Substance

  • O2-demethylcolchicine

Synonyms

  • 2-Demethylcolchicine
  • Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)
  • Alkaloid CC 6, from Colchicum cornigerum
  • NSC 180533
  • O(sup 2)-Demethylcolchicine
  • UNII-V9U19L3N0J

Systematic Names

  • Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI)
  • Colchicine, 3-demethyl- (7CI)
  • Colchicine, O(2)-demethyl- (8CI)
  • Colchicine, O(sup 2)-demethyl-

Registry Numbers

CAS Registry Number

  • 7336-36-9

FDA UNII

  • V9U19L3N0J

System Generated Number

  • 0007336369

Structure Descriptors

InChI

1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

InChIKey

DPOVAJCRYIUTBD-HNNXBMFYSA-N

Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(O)c(OC)c23)NC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 16577ug/kg (16.577mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 257, 1981.
mouse LD50 intraperitoneal 16mg/kg (16mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 109, Pg. 386, 1957.
mouse LD50 oral 19mg/kg (19mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: MUSCLE WEAKNESS
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 94, Pg. 453, 1953.
rat LDLo intracrebral 75ug/kg (0.075mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 109, Pg. 386, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.48 (none)   EXP
Water Solubility 1470 mg/L 25 EST
Vapor Pressure 1.25E-13 mm Hg 25 EST
Henry's Law Constant 3.15E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.47E-10 cm3/molecule-sec 25 EST

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