chempirical

Colchicine

C22H25NO6CAS 64-86-8399.44 g/mol

Open in Covalent MOL file
OOOOONHO
Ether

Properties

Molecular formula
C22H25NO6
Molar mass
399.44 g/mol
Exact mass
399.1682 Da
Melting point
142–150 °C
Boiling point
407 °C
pKa
1.85
Water solubility
45.5 g/L
logP
3.71Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number
64-86-8
SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N=C(C)O)CC2
InChIKey
IAKHMKGGTNLKSZ-INIZCTEOSA-N
InChI
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-
  • Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-
  • Benzo[a]heptalene, acetamide deriv.
  • N-[(7S)-5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide
  • NSC 757
  • (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide
  • Colchineos
  • Colchisol
  • Colcin
  • Colsaloid
  • Condylon
  • (-)-Colchicine
  • Colcrys
  • (S)-N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
  • Mitigare

Work with Colchicine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiocolchicoside602-41-560 % similar N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-333 % similar Schisanhenol69363-14-032 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-732 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-932 % similar Troxipide30751-05-431 % similar (+)-Isocorydine475-67-230 % similar N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide24530-67-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside13343-63-0 (4S,5R)-3-tert-Butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid196404-55-4 Fmoc-9-amino-4,7-dioxanonanoic acid872679-70-4

Elsewhere

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