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Mitopodozide

CAT: 0013-GTR19193533-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193533-03Size:100 mg
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Description
Mitopodozide
CAS Number
1508-45-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (NNCC) (=O) [C@@H]1[C@@H] (C2=C ([C@H] (O) [C@H]1CO) C=C3C (=C2) OCO3) C4=CC (OC) =C (OC) C (OC) =C4
Molecular Formula
C24H30N2O8
Molecular Weight
474.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mitopodozide

Mitopodozide is a lignan.

CAS Number1508-45-8
PubChem CID251643
IUPAC Name(5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
Molecular FormulaC24H30N2O8
Molecular Weight474.5
XLogP1.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity669
SMILES
CCNNC(=O)[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO
InChI
InChI=1S/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)/t15-,20+,21-,22-/m0/s1
InChIKey
CPTIBDHUFVHUJK-NZYDNVMFSA-N
Chemical Structure
2D Structure
2D structure of Mitopodozide
CAS: 1508-45-8
CID: 251643
Formula: C24H30N2O8
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass474.20021592
Monoisotopic Mass474.20021592
Topological Polar Surface Area128 Ų
Heavy Atom Count34
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T33411-01Mitopodozide

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