Products for Research Use Only

Nortadalafil

CAT: 0013-GTR19171700-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171700-02Size:2 mg
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Description
Nortadalafil, also known as Demethyl Tadalafil, is a PDE5 inhibitor used in research related to erectile dysfunction and pulmonary arterial hypertension. It serves as a key compound for in vitro enzymatic assays and in vivo pharmacological studies investigating cyclic nucleotide signaling pathways.
CAS Number
171596-36-4
Product Name Alternative
Inhibitor, Nortadalafil, inhibit, Demethyl Tadalafil, PDE5, phosphodiesterase, Phosphodiesterase (PDE)
Field of Research
Metabolism Research
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.33 mM) ; DMSO:65 mg/mL (173.16 mM)
Smiles
O=C1CNC (=O) [C@H]2Cc3c ([nH]c4ccccc34) [C@H] (N12) c1ccc2OCOc2c1
Molecular Formula
C21H17N3O4
Molecular Weight
375.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nortadalafil
CAS Number171596-36-4
PubChem CID9820973
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC21H17N3O4
Molecular Weight375.4
XLogP2.1
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity672
SMILES
C1[C@@H]2C(=O)NCC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
InChIKey
XHDLVMPUSXRZOS-FOIQADDNSA-N
Chemical Structure
2D Structure
2D structure of Nortadalafil
CAS: 171596-36-4
CID: 9820973
Formula: C21H17N3O4
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass375.12190603
Monoisotopic Mass375.12190603
Topological Polar Surface Area83.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes