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Endosidin 7

CAT: 0013-GTR19210757-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210757-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Endosidin7
CAS Number
329072-88-0
Product Name Alternative
Endosidin 7, Endosidin7, Endosidin-7
Purity
99.65% (May vary between batches)
Smiles
O=C (OC) C1=C (NC2=C (C (=O) CC (C3=CC=C (Cl) C=C3) C2) C1C=4C=CC=C (OC) C4OC) C
Molecular Formula
C26H26ClNO5
Molecular Weight
467.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS Number329072-88-0
PubChem CID2864316
IUPAC Namemethyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Molecular FormulaC26H26ClNO5
Molecular Weight467.9
XLogP4.4
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity829
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C(=CC=C4)OC)OC)C(=O)OC
InChI
InChI=1S/C26H26ClNO5/c1-14-22(26(30)33-4)23(18-6-5-7-21(31-2)25(18)32-3)24-19(28-14)12-16(13-20(24)29)15-8-10-17(27)11-9-15/h5-11,16,23,28H,12-13H2,1-4H3
InChIKey
RWZWCAXNYJWJAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS: 329072-88-0
CID: 2864316
Formula: C26H26ClNO5
MW: 467.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.9
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass467.1499506
Monoisotopic Mass467.1499506
Topological Polar Surface Area73.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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