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Vindoline

CAT: 0931-T2773-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2773-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2182-14-1
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Purity
0.9997
Bioactivity
Vindoline is an indole alkaloid that exhibits antimitotic activity by inhibiting microtubule assembly.
Smiles
CC[C@@]12C=CCN3CC[C@@]4([C@H]13)C(N(C)c1cc(OC)ccc41)[C@](O)([C@@H]2OC(C)=O)C(=O)OC
Molecular Formula
C25H32N2O6
Molecular Weight
456.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vindoline

Vindoline is a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heteropentacyclic compound, an alkaloid ester, an acetate ester and a tertiary amino compound. It is a conjugate base of a vindolinium(1+).

CAS Number2182-14-1
PubChem CID260535
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Molecular FormulaC25H32N2O6
Molecular Weight456.5
XLogP1.3
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity864
SMILES
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
InChI
InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1
InChIKey
CXBGOBGJHGGWIE-ACSXSLCXSA-N
Chemical Structure
2D Structure
2D structure of Vindoline
CAS: 2182-14-1
CID: 260535
Formula: C25H32N2O6
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass456.22603674
Monoisotopic Mass456.22603674
Topological Polar Surface Area88.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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