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Colchicine-d6

CAT: 1299-RM-C620917-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C620917-03Size:50 mg
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CAS Number
1217651-73-4
Synonyms
(S) -N- (1,2,3-trimethoxy-10- (methoxy-d3) -9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl) acetamide-2,2,2-d3
Molecular Formula
C22H19D6NO6
Molecular Weight
405.48
Target Alternative Name
Colchicine
Product Name Synonym
(S) -N- (1,2,3-trimethoxy-10- (methoxy-d3) -9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl) acetamide-2,2,2-d3

Chemical Information

Colchicine-d6
CAS Number1217651-73-4
PubChem CID45038708
IUPAC Name2,2,2-trideuterio-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(trideuteriomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular FormulaC22H25NO6
Molecular Weight405.5
XLogP1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity740
SMILES
[2H]C([2H])([2H])C(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC([2H])([2H])[2H])OC)OC)OC
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/i1D3,2D3
InChIKey
IAKHMKGGTNLKSZ-BLYUGYDFSA-N
Chemical Structure
2D Structure
2D structure of Colchicine-d6
CAS: 1217651-73-4
CID: 45038708
Formula: C22H25NO6
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.20584799
Monoisotopic Mass405.20584799
Topological Polar Surface Area83.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity740
Isotope Atom Count6
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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