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Substance Name: Trimethylcolchicinic acid
RN: 3482-37-9
UNII: 333BVY614O
InChIKey: IRVWPZRYDQROLU-ZDUSSCGKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C19-H21-N-O5

Molecular Weight

  • 343.3769
 
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Names and Synonyms

Name of Substance

  • Trimethylcolchicinic acid

Synonyms

  • 4-14-00-00937 (Beilstein Handbook Reference)
  • BRN 3008992
  • Colchicinic acid, trimethyl-
  • Deacetylcholchiceine
  • Deacetylcolchiceine
  • Desacetylcholchiceine
  • Desacetylcolchiceine
  • EINECS 222-464-5
  • N-Deacetylcolchiceine
  • NSC 36796
  • SKF 284
  • Trimethylcolchicinic acid
  • UNII-333BVY614O

Systematic Names

  • (S)-7-Amino-6,7-dihydro-10-hydroxy-1,2,3-trimethoxybenzo(a)heptalen-9(5H)-one
  • Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-10-hydroxy-1,2,3-trimethoxy-, (S)- (9CI)
  • Colchiceine, N-deacetyl- (8CI)
  • Colchiceine, N-deacetyl- (VAN) (8CI)
  • Colchicinic acid, trimethyl-

Registry Numbers

CAS Registry Number

  • 3482-37-9

FDA UNII

  • 333BVY614O

System Generated Number

  • 0003482379

Structure Descriptors

InChI

1S/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)/t13-/m0/s1

InChIKey

IRVWPZRYDQROLU-ZDUSSCGKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 20mg/kg (20mg/kg)   Cancer Vol. 3, Pg. 124, 1950.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BLOOD: HEMORRHAGE Cancer Vol. 3, Pg. 124, 1950.
mouse LD50 intravenous 130mg/kg (130mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 284, 1957.
rat LD50 intravenous 23mg/kg (23mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 284, 1957.
rat LDLo unreported 200mg/kg (200mg/kg)   Cancer Vol. 3, Pg. 124, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.240 (none)   EST
Water Solubility 1.40E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 3.52E-10 cm3/molecule-sec 25 EST

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