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Ticagrelor Related Compound B

CAT: 1459-CS-O-14123Size: 1 EachDry Ice: NoHazardous: No
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Description
Ticagrelor Related Compound B is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ticagrelor. The product is supplied by Clearsynth under CAT No. CS-O-14123. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Impurity in commercial preparation of Ticagrelor
CAS Number
1788033-05-5
Synonyms
Ticagrelor Related Compound B
Molecular Formula
C 23 H 28 F 2 N 6 O 4 S
Molecular Weight
522.57
Additionnal Information
Ticagrelor Related Compound B is supplied with detailed characterization data compliant with regulatory guideline. Ticagrelor Related Compound B 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 Ticagrelor.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Impurity in commercial preparation of Ticagrelor
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Ticagrelor sulphone
CAS Number1788033-05-5
PubChem CID91810732
IUPAC Name(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular FormulaC23H28F2N6O4S
Molecular Weight522.6
XLogP2
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity736
SMILES
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO
InChI
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-10-17(35-6-5-32)20(34)19(15)33)18-22(28-23)31(30-29-18)16-9-12(16)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChIKey
TUIWICWAOCUWJD-FNOIDJSQSA-N
Chemical Structure
2D Structure
2D structure of Ticagrelor sulphone
CAS: 1788033-05-5
CID: 91810732
Formula: C23H28F2N6O4S
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass522.18608089
Monoisotopic Mass522.18608089
Topological Polar Surface Area164 Ų
Heavy Atom Count36
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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