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Ticagrelor Related Compound 91

CAT: 1459-CS-EO-02804Size: 1 EachDry Ice: NoHazardous: No
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Description
Ticagrelor Related Compound 91 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-EO-02804. 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
2376278-68-9
Synonyms
Ticagrelor Related Compound 91
Molecular Formula
C 10 H 19 NO 4 C 4 H 6 O 6
Molecular Weight
217.3 : 150.1
Additionnal Information
Ticagrelor Related Compound 91 is supplied with detailed characterization data compliant with regulatory guideline. Ticagrelor Related Compound 91 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
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

2-((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid
CAS Number2376278-68-9
PubChem CID90656944
IUPAC Name2-[(6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]ethanol;2,3-dihydroxybutanedioic acid
Molecular FormulaC14H25NO10
Molecular Weight367.35
Topological Polar Surface Area189
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity367
SMILES
CC1(OC2C(CC(C2O1)OCCO)N)C.C(C(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C10H19NO4.C4H6O6/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;5-1(3(7)8)2(6)4(9)10/h6-9,12H,3-5,11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey
XEYNXCGNMKWIDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid
CAS: 2376278-68-9
CID: 90656944
Formula: C14H25NO10
MW: 367.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.35
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass367.14784599
Monoisotopic Mass367.14784599
Topological Polar Surface Area189 Ų
Heavy Atom Count25
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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