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Ensifentrine-10-Methoxy-d3

CAT: 1459-CS-O-59056Size: 1 EachDry Ice: NoHazardous: No
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Description
Ensifentrine-10-Methoxy-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ensifentrine. The product is supplied by Clearsynth under CAT No. CS-O-59056. 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
2939748-69-1
Synonyms
Ensifentrine-10-Methoxy-d3
Molecular Formula
C 26 H 28 D 3 N 5 O 4
Molecular Weight
480.58
Additionnal Information
Ensifentrine-10-Methoxy-d3 is supplied with detailed characterization data compliant with regulatory guideline. Ensifentrine-10-Methoxy-d3 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 Ensifentrine.
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

(E)-1-(2-(2-(mesitylimino)-9-methoxy-10-(methoxy-d3)-4-oxo-6,7-dihydro-2H-pyrimido[6,1-a]isoquinolin-3(4H)-yl)ethyl)urea
CAS Number2939748-69-1
PubChem CID168931692
IUPAC Name2-[9-methoxy-4-oxo-10-(trideuteriomethoxy)-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
Molecular FormulaC26H31N5O4
Molecular Weight480.6
XLogP2.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity849
SMILES
[2H]C([2H])([2H])OC1=C(C=C2CCN3C(=CC(=NC4=C(C=C(C=C4C)C)C)N(C3=O)CCNC(=O)N)C2=C1)OC
InChI
InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)/i5D3
InChIKey
CSOBIBXVIYAXFM-VPYROQPTSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-(2-(2-(mesitylimino)-9-methoxy-10-(methoxy-d3)-4-oxo-6,7-dihydro-2H-pyrimido[6,1-a]isoquinolin-3(4H)-yl)ethyl)urea
CAS: 2939748-69-1
CID: 168931692
Formula: C26H31N5O4
MW: 480.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight480.6
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass480.25643472
Monoisotopic Mass480.25643472
Topological Polar Surface Area109 Ų
Heavy Atom Count35
Formal Charge0
Complexity849
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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