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Sul-121 HCl

CAT: 0931-T28878-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28878-01Size:25 mg
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CAS Number
1541170-25-5
Target
Others, NF-κB
Related Pathways
Others, NF-κB
Bioactivity
Sul-121 has anti-oxidative capacity. In experimental chronic obstructive pulmonary disease (COPD) models, Sul-121 HCl inhibits airway inflammation and hyperresponsiveness (AHR) prospectively through inhibition of oxidative stress.
Smiles
Cl.Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)N1CCNCC1
Molecular Formula
C18H27ClN2O3
Molecular Weight
354.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,5,7,8-tetramethyl-2-(piperazine-1-carbonyl)-3,4-dihydro-2H-1-benzopyran-6-ol hydrochloride
CAS Number1541170-25-5
PubChem CID72950434
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
Molecular FormulaC18H27ClN2O3
Molecular Weight354.9
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity452
SMILES
CC1=C(C2=C(CCC(O2)(C)C(=O)N3CCNCC3)C(=C1O)C)C.Cl
InChI
InChI=1S/C18H26N2O3.ClH/c1-11-12(2)16-14(13(3)15(11)21)5-6-18(4,23-16)17(22)20-9-7-19-8-10-20;/h19,21H,5-10H2,1-4H3;1H
InChIKey
PLQHNEVLWPLIKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5,7,8-tetramethyl-2-(piperazine-1-carbonyl)-3,4-dihydro-2H-1-benzopyran-6-ol hydrochloride
CAS: 1541170-25-5
CID: 72950434
Formula: C18H27ClN2O3
MW: 354.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass354.1710204
Monoisotopic Mass354.1710204
Topological Polar Surface Area61.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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