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Tinoridine

CAT: 1410-M28373-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M28373-02Size:50 mg
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Description
Tinoridine is a chemical compound.
CAS Number
24237-54-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
316.42
Molecular Formula
C17H20N2O2S
Notes
Research use only, not for human use.
Receptor
IL Receptor|TNF-α|COX

Chemical Information

Tinoridine

Tinoridine is a thienopyridine.

CAS Number24237-54-5
PubChem CID5480
IUPAC Nameethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Molecular FormulaC17H20N2O2S
Molecular Weight316.4
XLogP3.4
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity387
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
InChIKey
PFENFDGYVLAFBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tinoridine
CAS: 24237-54-5
CID: 5480
Formula: C17H20N2O2S
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass316.12454906
Monoisotopic Mass316.12454906
Topological Polar Surface Area83.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity387
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