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Tropesin

CAT: 0931-T63460-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63460-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65189-78-8
Target
Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Bioactivity
Tropesin is a non-steroidal anti-inflammatory agent (NSAIA) that has inhibitory effects on the growth of Xylaria green.
Smiles
C(=O)(N1C=2C(C(CC(OCC(C(O)=O)C3=CC=CC=C3)=O)=C1C)=CC(OC)=CC2)C4=CC=C(Cl)C=C4
Molecular Formula
C28H24ClNO6
Molecular Weight
505.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tropesin

Tropesin is a N-acylindole.

CAS Number65189-78-8
PubChem CID47530
IUPAC Name3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-phenylpropanoic acid
Molecular FormulaC28H24ClNO6
Molecular Weight505.9
XLogP5.8
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity778
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C28H24ClNO6/c1-17-22(15-26(31)36-16-24(28(33)34)18-6-4-3-5-7-18)23-14-21(35-2)12-13-25(23)30(17)27(32)19-8-10-20(29)11-9-19/h3-14,24H,15-16H2,1-2H3,(H,33,34)
InChIKey
UCCJWNPWWPJKGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tropesin
CAS: 65189-78-8
CID: 47530
Formula: C28H24ClNO6
MW: 505.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.9
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass505.1292152
Monoisotopic Mass505.1292152
Topological Polar Surface Area94.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5806130Tropesin

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