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Colcemid for cell biology

CAT: 1288-2573GR001Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:1288-2573GR001Size:1 g
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CAS Number
477-30-5
UN Code
UN2811

Chemical Information

Demecolcine

(-)-demecolcine is a secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is an alkaloid and a secondary amino compound.

CAS Number477-30-5
PubChem CID220401
IUPAC Name(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Molecular FormulaC21H25NO5
Molecular Weight371.4
XLogP1.4
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity653
SMILES
CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
InChIKey
NNJPGOLRFBJNIW-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Demecolcine
CAS: 477-30-5
CID: 220401
Formula: C21H25NO5
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass371.17327290
Monoisotopic Mass371.17327290
Topological Polar Surface Area66 Ų
Heavy Atom Count27
Formal Charge0
Complexity653
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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