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Terflavoxate

CAT: 1410-M36117-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M36117-06Size:100 mg
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Description
Terflavoxate is a novel, orally active, semisynthetic statin microtubule inhibitor commonly used in combination with capecitabine. Terflavoxate is used in cancer research.
CAS Number
86433-40-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
419.51
Molecular Formula
C26H29NO4
Notes
Research use only, not for human use.
Receptor
Microtubule Associated

Chemical Information

Terflavoxate

structure given in first source; RN given refers to HCl; RN for parent cpd not available 6/89

CAS Number86433-40-1
PubChem CID135750
IUPAC Name(2-methyl-1-piperidin-1-ylpropan-2-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Molecular FormulaC26H29NO4
Molecular Weight419.5
XLogP4.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity700
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)(C)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO4/c1-18-22(28)20-13-10-14-21(24(20)30-23(18)19-11-6-4-7-12-19)25(29)31-26(2,3)17-27-15-8-5-9-16-27/h4,6-7,10-14H,5,8-9,15-17H2,1-3H3
InChIKey
VQTYZZPDAFGNCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Terflavoxate
CAS: 86433-40-1
CID: 135750
Formula: C26H29NO4
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass419.20965841
Monoisotopic Mass419.20965841
Topological Polar Surface Area55.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106415-01Terflavoxate

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