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ADPS

CAT: 0013-GTR19349911Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19349911Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ADPS
CAS Number
82611-88-9
Product Name Alternative
ADPS, Inhibitor, ESPAS, inhibit, N-Ethyl-N- (3-sulfopropyl) -3-methoxyaniline sodium, N-Ethyl-N- (3-sulfopropyl) -3-methoxyaniline sodium salt
Field of Research
Metabolism Research
Purity
97.54% (May vary between batches)
Solubility
EtOH:Insoluble; H2O:60 mg/mL (203.17 mM) ; DMSO:Insoluble
Molecular Weight
295.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Espas
CAS Number82611-88-9
PubChem CID23709986
IUPAC Namesodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
Molecular FormulaC12H18NNaO4S
Molecular Weight295.33
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.[Na+]
InChI
InChI=1S/C12H19NO4S.Na/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKey
MWFOPMKUGZLPQA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Espas
CAS: 82611-88-9
CID: 23709986
Formula: C12H18NNaO4S
MW: 295.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass295.08542351
Monoisotopic Mass295.08542351
Topological Polar Surface Area78.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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