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Pyrazinamide-d3

CAT: 0931-TMIJ-0310-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0310-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432059-16-9
Target
Antibiotic, Antibacterial, Autophagy
Related Pathways
Microbiology/Virology, Autophagy
Bioactivity
Pyrazinamide-d3 is a deuterated compound of Pyrazinamide. Pyrazinamide has a CAS number of 98-96-4. Pyrazinamide, an antimycobacterial, is utilized therapeutically as an antitubercular agent, which is a synthetic pyrazinoic acid amide derivative.
Smiles
C1([2H])N=C(C(=O)N)C([2H])=NC=1[2H]
Molecular Formula
C5D3H2N3O
Molecular Weight
126.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrazinamide-d3
CAS Number1432059-16-9
PubChem CID57347701
IUPAC Name3,5,6-trideuteriopyrazine-2-carboxamide
Molecular FormulaC5H5N3O
Molecular Weight126.13
XLogP-0.6
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity115
SMILES
[2H]C1=C(N=C(C(=N1)[2H])C(=O)N)[2H]
InChI
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i1D,2D,3D
InChIKey
IPEHBUMCGVEMRF-CBYSEHNBSA-N
Chemical Structure
2D Structure
2D structure of Pyrazinamide-d3
CAS: 1432059-16-9
CID: 57347701
Formula: C5H5N3O
MW: 126.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.13
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass126.062092029
Monoisotopic Mass126.062092029
Topological Polar Surface Area68.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CS-O-02726Pyrazinamide-d3
MBS6079736-01Pyrazinamide-15N,d3
CS-O-00733Pyrazinamide-15N, d3
AR-P33233-01Pyrazinamide-d3-15N
B2122-50000Pyrazinamide

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