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Nortadalafil 50mg

CAT: 0628-A15191-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15191-50Size:50 mg
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CAS Number
171596-36-4

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...
View on PubChemRaw 3D data
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

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