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Thiocolchicine

CAT: 1596-AR-C03456-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03456-01Size:25 Units
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CAS Number
2730-71-4
Synonyms
(S) -N- (1,2,3-trimethoxy-10- (methylthio) -9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl) acetamide; N-[ (7S) -5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10- (methylthio) -9-oxobenzo[a]heptalen-7-yl]acetamide; 10-Thio-colchicine; 10-Demethoxy-10- (methylthio) colchicine; NSC 186301; Thiocolchicine
Molecular Formula
C22H25NO5S
Molecular Weight
415.5
API Name
Colchicine

Chemical Information

Thiocolchicine

Thiocolchicine is an antimitotic alkaloid that binds to microtubules and inhibits tubulin polymerization and induces apoptosis. (NCI)

CAS Number2730-71-4
PubChem CID17648
IUPAC NameN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular FormulaC22H25NO5S
Molecular Weight415.5
XLogP1.8
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity743
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
InChI
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
Chemical Structure
2D Structure
2D structure of Thiocolchicine
CAS: 2730-71-4
CID: 17648
Formula: C22H25NO5S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass415.14534407
Monoisotopic Mass415.14534407
Topological Polar Surface Area99.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity743
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

Alternative Products

CatalogName
BA3155-50Thiocolchicine
HY-116852S-01Thiocolchicine-d3
271421-013-Demethyl thiocolchicine

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