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Sulfasalazine-d4

CAT: 0931-TMIJ-0097-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0097-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346606-50-5
Target
Antibiotic, Antibacterial, Autophagy, NF-κB, Ferroptosis, Apoptosis
Related Pathways
Microbiology/Virology, Apoptosis, Autophagy, NF-κB
Bioactivity
Sulfasalazine-d4 is a deuterated compound of Sulfasalazine. Sulfasalazine has a CAS number of 599-79-1. Sulfasalazine is a synthetic salicylic acid derivative with affinity for connective tissues containing elastin and formulated as a prodrug
Smiles
S(=O)(=O)(NC1N=C([2H])C([2H])=C([2H])C=1[2H])C1=CC=C(N=NC2=CC(C(=O)O)=C(O)C=C2)C=C1
Molecular Formula
C18H10D4N4O5S
Molecular Weight
402.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sulfasalazine-d4
CAS Number1346606-50-5
PubChem CID136232973
IUPAC Name2-hydroxy-5-[[4-[(3,4,5,6-tetradeuterio-2-pyridinyl)sulfamoyl]phenyl]diazenyl]benzoic acid
Molecular FormulaC18H14N4O5S
Molecular Weight402.4
XLogP-0.7
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity657
SMILES
[2H]C1=C(C(=NC(=C1[2H])NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)[2H])[2H]
InChI
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/i1D,2D,3D,10D
InChIKey
NCEXYHBECQHGNR-ATCXJBGESA-N
Chemical Structure
2D Structure
2D structure of Sulfasalazine-d4
CAS: 1346606-50-5
CID: 136232973
Formula: C18H14N4O5S
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass402.09359772
Monoisotopic Mass402.09359772
Topological Polar Surface Area150 Ų
Heavy Atom Count28
Formal Charge0
Complexity657
Isotope Atom Count4
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

CatalogName
TRC-S699089-25MGSulfasalazine-d4
A5770-5.1Sulfasalazine

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