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Norathiol

CAT: 0931-T33716-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33716-02Size:50 mg
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CAS Number
94161-07-6
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Norathiol (N-methyl-N-dithiocarboxyglucamine) is an antidote for cadmium poisoning and a metal chelator that promotes the excretion of 109Cd and can be used in the treatment of cadmium poisoning.
Smiles
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CN(C(=S)S)C)O)O
Molecular Formula
C8H17NO5S2
Molecular Weight
271.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methyl-D-glucamine dithiocarbamate

antidote for cadmium intoxication; repeated administration can result in reduction in cadmium levels of kidney & liver; structure given in first source

CAS Number94161-07-6
PubChem CID175594
IUPAC Namemethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular FormulaC8H17NO5S2
Molecular Weight271.4
XLogP-2.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity230
SMILES
CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S
InChI
InChI=1S/C8H17NO5S2/c1-9(8(15)16)2-4(11)6(13)7(14)5(12)3-10/h4-7,10-14H,2-3H2,1H3,(H,15,16)/t4-,5+,6+,7+/m0/s1
InChIKey
IBVJFULICYLKCE-BDVNFPICSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-D-glucamine dithiocarbamate
CAS: 94161-07-6
CID: 175594
Formula: C8H17NO5S2
MW: 271.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.4
XLogP3-2.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass271.05481499
Monoisotopic Mass271.05481499
Topological Polar Surface Area137 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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Alternative Products

CatalogName
GTR19193314-01Norathiol

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