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DB775

CAT: 0804-HY-164025-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164025-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DB775 is a metabolite of DB289.
CAS Number
475976-08-0
UNSPSC
12352005
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/db775.html
Purity
98.40
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N=C(C1=CC=C(C2=CC=C(C3=CC=C(C(NOC)=N)C=C3)O2)C=C1)NO
Molecular Formula
C19H18N4O3
Molecular Weight
350.37
References & Citations
[1]Wenzler T, et al. New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289. Antimicrob Agents Chemother. 2009 Oct;53 (10) :4185-92.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2Cmt5WV6NI
CAS Number475976-08-0
PubChem CID154731640
IUPAC NameN'-hydroxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Molecular FormulaC19H18N4O3
Molecular Weight350.4
XLogP2.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity509
SMILES
CO/N=C(/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/O)/N)\N
InChI
InChI=1S/C19H18N4O3/c1-25-23-19(21)15-8-4-13(5-9-15)17-11-10-16(26-17)12-2-6-14(7-3-12)18(20)22-24/h2-11,24H,1H3,(H2,20,22)(H2,21,23)
InChIKey
FSOSWZMLEKKGBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2Cmt5WV6NI
CAS: 475976-08-0
CID: 154731640
Formula: C19H18N4O3
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass350.13789045
Monoisotopic Mass350.13789045
Topological Polar Surface Area119 Ų
Heavy Atom Count26
Formal Charge0
Complexity509
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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CatalogName
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