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Tetraethyl ranelate

CAT: 1410-M39542Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M39542Size:1 Each
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Description
Tetraethyl ranelate
CAS Number
58194-26-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Weight
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Tetraethyl ranelate
CAS Number58194-26-6
PubChem CID12253549
IUPAC Nameethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
Molecular FormulaC20H26N2O8S
Molecular Weight454.5
XLogP3.1
Topological Polar Surface Area160
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count31
Formal Charge0
Complexity672
SMILES
CCOC(=O)CC1=C(SC(=C1C#N)N(CC(=O)OCC)CC(=O)OCC)C(=O)OCC
InChI
InChI=1S/C20H26N2O8S/c1-5-27-15(23)9-13-14(10-21)19(31-18(13)20(26)30-8-4)22(11-16(24)28-6-2)12-17(25)29-7-3/h5-9,11-12H2,1-4H3
InChIKey
UJPLQWOIPCSWCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetraethyl ranelate
CAS: 58194-26-6
CID: 12253549
Formula: C20H26N2O8S
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass454.14098697
Monoisotopic Mass454.14098697
Topological Polar Surface Area160 Ų
Heavy Atom Count31
Formal Charge0
Complexity672
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

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A8526-10Strontium Ranelate
442944Bisdescarboxy Ranelate

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