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N-Deacetylcolchiceine

CAT: 0024-sc-208016Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208016Size:100 mg
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CAS Number
3482-37-9

Chemical Information

Trimethylcolchicinic Acid

Trimethylcolchicinic Acid is a colchicine analog with potential antineoplastic activity. Trimethylcolchicinic acid binds to tubulin, inhibiting its polymerization into microtubules and preventing cell division. (NCI04)

CAS Number3482-37-9
PubChem CID453131
IUPAC Name(7S)-7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Molecular FormulaC19H21NO5
Molecular Weight343.4
XLogP0.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity623
SMILES
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)O)N)OC)OC
InChI
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
Chemical Structure
2D Structure
2D structure of Trimethylcolchicinic Acid
CAS: 3482-37-9
CID: 453131
Formula: C19H21NO5
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass343.14197277
Monoisotopic Mass343.14197277
Topological Polar Surface Area91 Ų
Heavy Atom Count25
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OR9122-01N, N, N', N', N'', N''-Hexamethylmethanetriamine
OH07433-01N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
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OR22662N, N, N, N, N, N-hexaethylphosphinetricarboxamide
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