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D13

CAT: 0013-GTR19191629-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191629-01Size:1 mg
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Description
D13 is an acylhydrazone antifungal compound demonstrating potent in vitro activity against Cryptococcus neoformans. In vivo, oral administration significantly improves survival in murine models of invasive fungal infections caused by C. neoformans, Candida albicans, and Aspergillus fumigatus.
CAS Number
321945-27-1
Field of Research
Infectious Disease & Virology
Smiles
C (=NNC (=O) C1=CC=C (Br) C=C1) C2=C (O) C (Br) =CC (Br) =C2
Molecular Formula
C14H9Br3N2O2
Molecular Weight
476.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CAS Number321945-27-1
PubChem CID135569113
IUPAC Name4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.94
XLogP4.5
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity386
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)O)Br
InChI
InChI=1S/C14H9Br3N2O2/c15-10-3-1-8(2-4-10)14(21)19-18-7-9-5-11(16)6-12(17)13(9)20/h1-7,20H,(H,19,21)/b18-7+
InChIKey
QERLWOMVFDBAFP-CNHKJKLMSA-N
Chemical Structure
2D Structure
2D structure of 4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CAS: 321945-27-1
CID: 135569113
Formula: C14H9Br3N2O2
MW: 476.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.94
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass475.81937
Monoisotopic Mass473.82142
Topological Polar Surface Area61.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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