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Emeramide

CAT: 0931-T15213-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T15213-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
351994-94-0
Target
Cuproptosis, Reactive Oxygen Species, ROS
Related Pathways
NF-κB, Metabolism, Immunology/Inflammation, Apoptosis
Purity
0.988
Bioactivity
Emeramide (BDTH2) is a thiol-redox antioxidant. It is also a heavy metal chelator.
Smiles
SCCNC(=O)c1cccc(c1)C(=O)NCCS
Molecular Formula
C12H16N2O2S2
Molecular Weight
284.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N'-bis(2-mercaptoethyl)isophthalamide

Emeramide has been used in trials studying the treatment of Mercury Poisoning.

CAS Number351994-94-0
PubChem CID21133161
IUPAC Name1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
Molecular FormulaC12H16N2O2S2
Molecular Weight284.4
XLogP1.1
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity261
SMILES
C1=CC(=CC(=C1)C(=O)NCCS)C(=O)NCCS
InChI
InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)
InChIKey
JUTBAVRYDAKVGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-bis(2-mercaptoethyl)isophthalamide
CAS: 351994-94-0
CID: 21133161
Formula: C12H16N2O2S2
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass284.06532010
Monoisotopic Mass284.06532010
Topological Polar Surface Area60.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity261
Isotope Atom Count0
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
MBS3613931-01Emeramide
9666-50Emeramide (BDTH2)
A15962-500Emeramide (BDTH2) 500mg
A15962-100Emeramide (BDTH2) 100mg
A15962-1000Emeramide (BDTH2) 1g

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