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Duazomycin

CAT: 0931-T27217-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T27217-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2508-89-6
Target
Others, Glutaminase
Related Pathways
Proteases/Proteasome, Others
Bioactivity
Duazomycin, an antitumor substance and glutamine antagonist, is used as a chemotherapeutic agent.
Smiles
[C@@H](CCC(C=[N+]=[N-])=O)(NC(C)=O)C(O)=O
Molecular Formula
C8H11N3O4
Molecular Weight
213.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Duazomycin
CAS Number2508-89-6
PubChem CID72622
IUPAC Name(2S)-2-acetamido-6-diazo-5-oxohexanoic acid
Molecular FormulaC8H11N3O4
Molecular Weight213.19
XLogP-1.6
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity320
SMILES
CC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O
InChI
InChI=1S/C8H11N3O4/c1-5(12)11-7(8(14)15)3-2-6(13)4-10-9/h4,7H,2-3H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKey
WBSWOKCKZUNHQV-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Duazomycin
CAS: 2508-89-6
CID: 72622
Formula: C8H11N3O4
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP3-1.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass213.07495584
Monoisotopic Mass213.07495584
Topological Polar Surface Area85.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-105723Duazomycin
GTR19263685-01Duazomycin sodium
HY-105723A-01Duazomycin (sodium)

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