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Tadalafil Desmethylene Impurity

CAT: 1459-CS-O-08226Size: 1 EachDry Ice: NoHazardous: No
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Description
Tadalafil Desmethylene Impurity 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-08226. 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
171489-03-5
Synonyms
Tadalafil Desmethylene Impurity
Molecular Formula
C 21 H 19 N 3 O 4
Molecular Weight
377.40
Additionnal Information
Tadalafil Desmethylene Impurity is supplied with detailed characterization data compliant with regulatory guideline. Tadalafil Desmethylene Impurity 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

Tadalafil catechol
CAS Number171489-03-5
PubChem CID9864503
IUPAC Name(2R,8R)-2-(3,4-dihydroxyphenyl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC21H19N3O4
Molecular Weight377.4
XLogP1.8
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity658
SMILES
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC(=C(C=C4)O)O)NC5=CC=CC=C35
InChI
InChI=1S/C21H19N3O4/c1-23-10-18(27)24-15(21(23)28)9-13-12-4-2-3-5-14(12)22-19(13)20(24)11-6-7-16(25)17(26)8-11/h2-8,15,20,22,25-26H,9-10H2,1H3/t15-,20-/m1/s1
InChIKey
HZSPPSAESSMSNY-FOIQADDNSA-N
Chemical Structure
2D Structure
2D structure of Tadalafil catechol
CAS: 171489-03-5
CID: 9864503
Formula: C21H19N3O4
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass377.13755610
Monoisotopic Mass377.13755610
Topological Polar Surface Area96.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity658
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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