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N-Desmethyl Tadalafil

CAT: 1459-CS-O-08230Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-08230Size:1 Each
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Description
N-Desmethyl Tadalafil is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tadalafil. The product is supplied by Clearsynth under CAT No. CS-O-08230. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
171596-36-4
Synonyms
N-Desmethyl Tadalafil
Molecular Formula
C 21 H 17 N 3 O 4
Molecular Weight
375.4
Additionnal Information
N-Desmethyl Tadalafil is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl Tadalafil can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Tadalafil.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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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