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Aurachin D

CAT: 0013-GTR19230032-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230032-02Size:5 mg
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Description
Aurachin D is a cytotoxic quinolone antibiotic that potently inhibits cytochrome bd oxidase. It serves as a valuable research tool for studying Mycobacterium tuberculosis and has demonstrated in vitro and in vivo activity against Plasmodium spp., Trypanosoma cruzi, and Leishmania donovani in models of parasitic diseases.
CAS Number
108354-13-8
Field of Research
Infectious Disease & Virology
Purity
99.96% (May vary between batches)
Smiles
O=C1C=2C (NC (C) =C1C/C=C (/CC/C=C (/CCC=C (C) C) \C) \C) =CC=CC2
Molecular Formula
C25H33NO
Molecular Weight
363.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aurachin D

Aurachin D is a sesquiterpenoid.

CAS Number108354-13-8
PubChem CID6124753
IUPAC Name2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one
Molecular FormulaC25H33NO
Molecular Weight363.5
XLogP7.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity643
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16+
InChIKey
JHMLNOXMSHURLQ-YEFHWUCQSA-N
Chemical Structure
2D Structure
2D structure of Aurachin D
CAS: 108354-13-8
CID: 6124753
Formula: C25H33NO
MW: 363.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.5
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass363.256214676
Monoisotopic Mass363.256214676
Topological Polar Surface Area29.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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